CID 3074942

168779-54-2

Structural Information

Molecular Formula
C20H17N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H17N3O2/c24-19(17-12-7-13-21-14-17)23-20(25)22-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18H,(H2,22,23,24,25)
InChIKey
FLKSZAQZBFTGRX-UHFFFAOYSA-N
Compound name
N-(benzhydrylcarbamoyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13208 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 179.3
[M+Na]+ 354.12130 192.2
[M+NH4]+ 349.16590 186.1
[M+K]+ 370.09524 184.9
[M-H]- 330.12480 185.5
[M+Na-2H]- 352.10675 190.2
[M]+ 331.13153 182.7
[M]- 331.13263 182.7
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.