Metabolite 9-hydroxy-methyltriazolophthalazine

Name

9-hydroxy-methyltriazolophthalazine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 200.201
Monoisotopic: 200.069810894

Chemical Formula

C₁₀H₈N₄O

InChI Key

WEZJHQRLSNPTOY-UHFFFAOYSA-N

InChI

InChI=1S/C10H8N4O/c1-6-12-13-10-9-3-2-8(15)4-7(9)5-11-14(6)10/h2-5,15H,1H3

IUPAC Name

3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-8-ol

SMILES

CC1=NN=C2N1N=CC1=CC(O)=CC=C21

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-948c667c7429d9bc3051
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-e8626c3c8cc80341fd4d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0190000000-f3a408bf3176ae495034
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-92ab82c1e9c70a1330d4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0910000000-cd8cb1e7e21782a2d5e7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00xs-0900000000-2bf945a24d51d8b8eb1d

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	147.7842321	predicted	DarkChem Lite v0.1.0
[M-H]-	128.09737	predicted	DeepCCS 1.0 (2019)
[M+H]+	147.8729321	predicted	DarkChem Lite v0.1.0
[M+H]+	131.23123	predicted	DeepCCS 1.0 (2019)
[M+Na]+	148.1495321	predicted	DarkChem Lite v0.1.0
[M+Na]+	140.50761	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties