CID 216044

1h-pyrazolecarboxamide, 5-methyl-n-(2-methylphenyl)-

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC=CC=C1NC(=O)C2=NNC(=C2)C
InChI
InChI=1S/C12H13N3O/c1-8-5-3-4-6-10(8)13-12(16)11-7-9(2)14-15-11/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKey
JANAAOKYDKGMID-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-methylphenyl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.10587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 147.9
[M+Na]+ 238.095088 156.0
[M-H]- 214.098594 151.3
[M+NH4]+ 233.139693 164.7
[M+K]+ 254.069028 151.9
[M+H-H2O]+ 198.103130 139.9
[M+HCOO]- 260.104071 170.2
[M+CH3COO]- 274.119721 187.2
[M+Na-2H]- 236.080536 151.9
[M]+ 215.10532142 146.4
[M]- 215.10641858 146.4
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

patents stripe