CID 16040289

N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide

Structural Information

Molecular Formula
C24H20N4O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4
InChI
InChI=1S/C24H20N4O2/c29-24(22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18)28-19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-16H,17H2,(H,26,27)(H,28,29)
InChIKey
CPVRYQAOUPSUDO-UHFFFAOYSA-N
Compound name
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

63
Patents

396.15863 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16591 193.5
[M+Na]+ 419.14785 197.8
[M-H]- 395.15135 202.7
[M+NH4]+ 414.19245 199.5
[M+K]+ 435.12179 191.0
[M+H-H2O]+ 379.15589 180.2
[M+HCOO]- 441.15683 215.4
[M+CH3COO]- 455.17248 201.6
[M+Na-2H]- 417.13330 200.2
[M]+ 396.15808 192.0
[M]- 396.15918 192.0
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