CID 1440879

Nicotinamide, n-benzyl-2-(p-methoxyanilino)-

Structural Information

Molecular Formula
C20H19N3O2
SMILES
COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C20H19N3O2/c1-25-17-11-9-16(10-12-17)23-19-18(8-5-13-21-19)20(24)22-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,21,23)(H,22,24)
InChIKey
XNWVMEZVMAUDEB-UHFFFAOYSA-N
Compound name
N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

333.14774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 178.4
[M+Na]+ 356.13696 183.5
[M-H]- 332.14046 186.4
[M+NH4]+ 351.18156 189.2
[M+K]+ 372.11090 178.4
[M+H-H2O]+ 316.14500 167.5
[M+HCOO]- 378.14594 202.2
[M+CH3COO]- 392.16159 214.4
[M+Na-2H]- 354.12241 184.3
[M]+ 333.14719 178.0
[M]- 333.14829 178.0
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

No patent data available for this compound.