Metabolite Hydrazinophthalazinone

Name

Hydrazinophthalazinone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 176.179
Monoisotopic: 176.069810894

Chemical Formula

C₈H₈N₄O

InChI Key

GSXANHNUSCYGEW-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N4O/c9-10-7-5-3-1-2-4-6(5)8(13)12-11-7/h1-4H,9H2,(H,10,11)(H,12,13)

IUPAC Name

4-hydrazinyl-1,2-dihydrophthalazin-1-one

SMILES

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-0900000000-29cf34373bb7067b2c6d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-96342cc6aacdf7f82e47
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-74ca3451100810ae1529
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-1900000000-8e40fe129db33295124a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0kk9-6900000000-0168a1453f78a13fe69c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f6x-9000000000-928e14cf5082cb7ac06c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	139.5521055	predicted	DarkChem Lite v0.1.0
[M-H]-	134.92998	predicted	DeepCCS 1.0 (2019)
[M+H]+	139.9214055	predicted	DarkChem Lite v0.1.0
[M+H]+	138.75731	predicted	DeepCCS 1.0 (2019)
[M+Na]+	139.8182055	predicted	DarkChem Lite v0.1.0
[M+Na]+	147.96558	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties