CID 3568986

54026-78-7

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1C(=O)C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H13N3O2/c20-14-11-19(13-9-5-2-6-10-13)18-15(14)16(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,21)
InChIKey
FFVYURLAHSLZTC-UHFFFAOYSA-N
Compound name
4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 162.5
[M+Na]+ 302.08999 169.5
[M-H]- 278.09349 169.9
[M+NH4]+ 297.13459 176.5
[M+K]+ 318.06393 164.9
[M+H-H2O]+ 262.09803 152.6
[M+HCOO]- 324.09897 185.1
[M+CH3COO]- 338.11462 173.9
[M+Na-2H]- 300.07544 166.2
[M]+ 279.10022 160.8
[M]- 279.10132 160.8
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.