CID 4662665

618092-44-7

Structural Information

Molecular Formula

C₁₂H₁₄N₄O

SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN)C

InChI

InChI=1S/C12H14N4O/c1-8-3-5-10(6-4-8)16-9(2)11(7-14-16)12(17)15-13/h3-7H,13H2,1-2H3,(H,15,17)

InChIKey

OLDCCJMGQXRSSP-UHFFFAOYSA-N

Compound name

5-methyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.11676 Da
Monoisotopic Mass: 1.2
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]+	231.124036	151.8
[M+Na]+	253.105978	160.3
[M-H]-	229.109484	156.5
[M+NH4]+	248.150583	168.4
[M+K]+	269.079918	156.7
[M+H-H2O]+	213.114020	143.3
[M+HCOO]-	275.114961	175.9
[M+CH3COO]-	289.130611	195.4
[M+Na-2H]-	251.091426	155.0
[M]+	230.11621142	150.8
[M]-	230.11730858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe