Metabolite Acetylhydrazinophthalazinone

Name

Acetylhydrazinophthalazinone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

8FCK7Y7D7F

CAS number

Not Available

Weight

Average: 218.216
Monoisotopic: 218.080375578

Chemical Formula

C₁₀H₁₀N₄O₂

InChI Key

RIHRITBAKWRQDD-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N4O2/c1-6(15)11-12-9-7-4-2-3-5-8(7)10(16)14-13-9/h2-5H,1H3,(H,11,15)(H,12,13)(H,14,16)

IUPAC Name

N'-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide

SMILES

CC(=O)NNC1=NNC(=O)C2=CC=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0930000000-f34bb2859dbcb2c02a4d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00xr-0960000000-545eeb8e3bf8ebd0edba
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-a95552d1f8651fa2efe6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a6u-9300000000-2879794c3f7b1afd51a6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0pdi-1900000000-2c7acb385adeb9c77647
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-8900000000-38e2a3796afd04741d57

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	158.7874695	predicted	DarkChem Lite v0.1.0
[M-H]-	143.15067	predicted	DeepCCS 1.0 (2019)
[M+H]+	157.4597695	predicted	DarkChem Lite v0.1.0
[M+H]+	145.54622	predicted	DeepCCS 1.0 (2019)
[M+Na]+	158.3926695	predicted	DarkChem Lite v0.1.0
[M+Na]+	152.2729	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties