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]+ 292.108046 166.0
[M+Na]+ 314.089988 172.4
[M-H]- 290.093494 173.4
[M+NH4]+ 309.134593 179.3
[M+K]+ 330.063928 167.9
[M+H-H2O]+ 274.098030 155.9
[M+HCOO]- 336.098971 188.7
[M+CH3COO]- 350.114621 177.1
[M+Na-2H]- 312.075436 169.9
[M]+ 291.10022142 165.0
[M]- 291.10131858 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.