Metabolite Hydralazine acetone hydrazone

Name

Hydralazine acetone hydrazone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 200.2398
Monoisotopic: 200.106196404

Chemical Formula

C₁₁H₁₂N₄

InChI Key

AKFJXINWDQGPHO-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N4/c1-8(2)13-15-11-10-6-4-3-5-9(10)7-12-14-11/h3-7H,1-2H3,(H,14,15)

IUPAC Name

1-[2-(propan-2-ylidene)hydrazin-1-yl]phthalazine

SMILES

CC(C)=NNC1=NN=CC2=C1C=CC=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0k96-3900000000-bdc2b1f25dc7fe4c560f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0190000000-7c59f6692d2e7f84fca0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4j-0900000000-c9af79078b36fa69dfe9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udl-3960000000-b065418ab2c6ea3b2c5e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0900000000-b9a9db12a81faaa62b76
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udl-9500000000-8df171ab074d134a5361
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-d0a4932e1ccbb078dc50

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	152.0814236	predicted	DarkChem Lite v0.1.0
[M-H]-	152.6041236	predicted	DarkChem Lite v0.1.0
[M-H]-	139.17058	predicted	DeepCCS 1.0 (2019)
[M+H]+	153.4930236	predicted	DarkChem Lite v0.1.0
[M+H]+	153.9035236	predicted	DarkChem Lite v0.1.0
[M+H]+	141.59412	predicted	DeepCCS 1.0 (2019)
[M+Na]+	152.6004236	predicted	DarkChem Lite v0.1.0
[M+Na]+	152.6071236	predicted	DarkChem Lite v0.1.0
[M+Na]+	150.06169	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties