CID 163675

1h-pyrazole-4-carboxamide, 5-cyano-n-methyl-1-phenyl-

Structural Information

Molecular Formula
C12H10N4O
SMILES
CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C#N
InChI
InChI=1S/C12H10N4O/c1-14-12(17)10-8-15-16(11(10)7-13)9-5-3-2-4-6-9/h2-6,8H,1H3,(H,14,17)
InChIKey
HHQRKCHGUBYEGN-UHFFFAOYSA-N
Compound name
5-cyano-N-methyl-1-phenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.08546 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09274 151.7
[M+Na]+ 249.07468 161.5
[M-H]- 225.07818 154.5
[M+NH4]+ 244.11928 166.3
[M+K]+ 265.04862 157.2
[M+H-H2O]+ 209.08272 136.0
[M+HCOO]- 271.08366 171.1
[M+CH3COO]- 285.09931 202.2
[M+Na-2H]- 247.06013 155.3
[M]+ 226.08491 146.3
[M]- 226.08601 146.3
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