CID 9797919

N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide

Structural Information

Molecular Formula
C19H16ClN3O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)NCC3=CC=NC=C3
InChI
InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
InChIKey
GGPZCOONYBPZEW-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

69
Patents

337.09818 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10546 177.9
[M+Na]+ 360.08740 184.5
[M-H]- 336.09090 185.8
[M+NH4]+ 355.13200 189.7
[M+K]+ 376.06134 177.3
[M+H-H2O]+ 320.09544 168.0
[M+HCOO]- 382.09638 197.4
[M+CH3COO]- 396.11203 188.1
[M+Na-2H]- 358.07285 183.7
[M]+ 337.09763 178.4
[M]- 337.09873 178.4
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