CID 98890

3-methyl-4-phenylhydrazino-2-pyrazolin-5-one

Structural Information

Molecular Formula

C₁₀H₁₂N₄O

SMILES

CC1=NNC(=O)C1NNC2=CC=CC=C2

InChI

InChI=1S/C10H12N4O/c1-7-9(10(15)14-11-7)13-12-8-5-3-2-4-6-8/h2-6,9,12-13H,1H3,(H,14,15)

InChIKey

YXWPBSNRPGIOKR-UHFFFAOYSA-N

Compound name

3-methyl-4-(2-phenylhydrazinyl)-1,4-dihydropyrazol-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 204.1011 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.108376	142.6
[M+Na]+	227.090318	149.7
[M-H]-	203.093824	145.7
[M+NH4]+	222.134923	159.3
[M+K]+	243.064258	145.8
[M+H-H2O]+	187.098360	134.2
[M+HCOO]-	249.099301	166.1
[M+CH3COO]-	263.114951	186.5
[M+Na-2H]-	225.075766	148.4
[M]+	204.10055142	138.9
[M]-	204.10164858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.