CID 716930

1-benzoyl-n-phenyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C17H13N3O2
SMILES
C1=CC=C(C=C1)C(=O)N2C=CC(=N2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H13N3O2/c21-16(18-14-9-5-2-6-10-14)15-11-12-20(19-15)17(22)13-7-3-1-4-8-13/h1-12H,(H,18,21)
InChIKey
ZYYMCOZRPAHLRN-UHFFFAOYSA-N
Compound name
1-benzoyl-N-phenylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

291.10077 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 166.0
[M+Na]+ 314.08999 172.4
[M-H]- 290.09349 173.4
[M+NH4]+ 309.13459 179.3
[M+K]+ 330.06393 167.9
[M+H-H2O]+ 274.09803 155.9
[M+HCOO]- 336.09897 188.7
[M+CH3COO]- 350.11462 177.1
[M+Na-2H]- 312.07544 169.9
[M]+ 291.10022 165.0
[M]- 291.10132 165.0
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

No patent data available for this compound.