CID 301738

3,5-dimethyl-n-phenyl-1h-pyrazole-1-carboxamide

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC(=NN1C(=O)NC2=CC=CC=C2)C
InChI
InChI=1S/C12H13N3O/c1-9-8-10(2)15(14-9)12(16)13-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,16)
InChIKey
WAUWYZFXZGQUNJ-UHFFFAOYSA-N
Compound name
3,5-dimethyl-N-phenylpyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

215.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 148.5
[M+Na]+ 238.09509 161.1
[M+NH4]+ 233.13969 156.0
[M+K]+ 254.06903 156.7
[M-H]- 214.09859 151.4
[M+Na-2H]- 236.08054 156.2
[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

literature stripe

Patent stripe

patents stripe