CID 3067263

1h-pyrazole-3-carboxylic acid, 4-amino-5-methyl-, 2-(4-methylphenyl)hydrazide

Structural Information

Molecular Formula
C12H15N5O
SMILES
CC1=CC=C(C=C1)NNC(=O)C2=NNC(=C2N)C
InChI
InChI=1S/C12H15N5O/c1-7-3-5-9(6-4-7)15-17-12(18)11-10(13)8(2)14-16-11/h3-6,15H,13H2,1-2H3,(H,14,16)(H,17,18)
InChIKey
DZKZLUXSSOKXAV-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12766 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.134936 155.0
[M+Na]+ 268.116878 162.1
[M-H]- 244.120384 158.4
[M+NH4]+ 263.161483 169.9
[M+K]+ 284.090818 157.8
[M+H-H2O]+ 228.124920 146.4
[M+HCOO]- 290.125861 178.7
[M+CH3COO]- 304.141511 198.4
[M+Na-2H]- 266.102326 158.4
[M]+ 245.12711142 151.5
[M]- 245.12820858 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.