CID 216046

37027-12-6

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC=C(C=C1)NC(=O)C2=NNC(=C2)C
InChI
InChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)13-12(16)11-7-9(2)14-15-11/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKey
HLDBUSVHBXZXGM-UHFFFAOYSA-N
Compound name
5-methyl-N-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 147.9
[M+Na]+ 238.09509 156.0
[M-H]- 214.09859 151.3
[M+NH4]+ 233.13969 164.7
[M+K]+ 254.06903 151.9
[M+H-H2O]+ 198.10313 139.9
[M+HCOO]- 260.10407 170.2
[M+CH3COO]- 274.11972 187.2
[M+Na-2H]- 236.08054 151.9
[M]+ 215.10532 146.4
[M]- 215.10642 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

No patent data available for this compound.