CID 3049973

N-benzyl-2-(p-toluidino)nicotinamide

Structural Information

Molecular Formula
C20H19N3O
SMILES
CC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C20H19N3O/c1-15-9-11-17(12-10-15)23-19-18(8-5-13-21-19)20(24)22-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,21,23)(H,22,24)
InChIKey
LJGZWYJQQBSRFF-UHFFFAOYSA-N
Compound name
N-benzyl-2-(4-methylanilino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1528 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.160076 175.4
[M+Na]+ 340.142018 180.8
[M-H]- 316.145524 183.4
[M+NH4]+ 335.186623 187.1
[M+K]+ 356.115958 174.9
[M+H-H2O]+ 300.150060 164.8
[M+HCOO]- 362.151001 199.1
[M+CH3COO]- 376.166651 185.6
[M+Na-2H]- 338.127466 181.3
[M]+ 317.15225142 173.7
[M]- 317.15334858 173.7
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.