CID 11245456

Cdppb

Structural Information

Molecular Formula
C23H16N4O
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=CC(=C3)C#N)C4=CC=CC=C4
InChI
InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
InChIKey
BKUIZWILNWHFHD-UHFFFAOYSA-N
Compound name
3-cyano-N-(2,5-diphenylpyrazol-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

82
References

172
Patents

364.13242 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13970 193.4
[M+Na]+ 387.12164 208.4
[M+NH4]+ 382.16624 197.4
[M+K]+ 403.09558 197.7
[M-H]- 363.12514 193.2
[M+Na-2H]- 385.10709 201.7
[M]+ 364.13187 194.8
[M]- 364.13297 194.8
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