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]+ 318.16008 175.4
[M+Na]+ 340.14202 180.8
[M-H]- 316.14552 183.4
[M+NH4]+ 335.18662 187.1
[M+K]+ 356.11596 174.9
[M+H-H2O]+ 300.15006 164.8
[M+HCOO]- 362.15100 199.1
[M+CH3COO]- 376.16665 185.6
[M+Na-2H]- 338.12747 181.3
[M]+ 317.15225 173.7
[M]- 317.15335 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.