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]+ 216.11315 148.8
[M+Na]+ 238.09509 160.8
[M+NH4]+ 233.13969 155.9
[M+K]+ 254.06903 156.7
[M-H]- 214.09859 151.2
[M+Na-2H]- 236.08054 155.9
[M]+ 215.10532 150.9
[M]- 215.10642 150.9
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