Metabolite Hydralazine pyruvate hydrazone

Name

Hydralazine pyruvate hydrazone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 230.2227
Monoisotopic: 230.080375584

Chemical Formula

C₁₁H₁₀N₄O₂

InChI Key

CXGHHASVNBBLOU-NTUHNPAUSA-N

InChI

InChI=1S/C11H10N4O2/c1-7(11(16)17)13-15-10-9-5-3-2-4-8(9)6-12-14-10/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7+

IUPAC Name

(2E)-2-[2-(phthalazin-1-yl)hydrazin-1-ylidene]propanoic acid

SMILES

C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0f7x-3930000000-4877dd76ee46f3c05257
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0590000000-ea760ebff518a5ab3aa6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052f-9420000000-f810f05f1524d7ee963b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1900000000-93956c423335c50fffdf
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-08gl-2920000000-1727d2e3ec811d2da976
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-232323c431300d0be790
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-1900000000-74bbd761d28953f39b2c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	159.9502924	predicted	DarkChem Lite v0.1.0
[M-H]-	152.46687	predicted	DeepCCS 1.0 (2019)
[M+H]+	160.8410924	predicted	DarkChem Lite v0.1.0
[M+H]+	154.8249	predicted	DeepCCS 1.0 (2019)
[M+Na]+	160.2343924	predicted	DarkChem Lite v0.1.0
[M+Na]+	160.91817	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties