CID 100472

Difenpiramide

Structural Information

Molecular Formula
C19H16N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=CC=N3
InChI
InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)
InChIKey
PWHROYKAGRUWDQ-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)-N-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

22
References

6111
Patents

288.12625 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.133526 167.5
[M+Na]+ 311.115468 173.2
[M-H]- 287.118974 175.3
[M+NH4]+ 306.160073 180.3
[M+K]+ 327.089408 167.5
[M+H-H2O]+ 271.123510 157.2
[M+HCOO]- 333.124451 190.4
[M+CH3COO]- 347.140101 178.2
[M+Na-2H]- 309.100916 174.0
[M]+ 288.12570142 165.6
[M]- 288.12679858 165.6
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