CID 3064047

N-ethyl-6-methyl-2-(p-toluidino)nicotinamide

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCNC(=O)C1=C(N=C(C=C1)C)NC2=CC=C(C=C2)C
InChI
InChI=1S/C16H19N3O/c1-4-17-16(20)14-10-7-12(3)18-15(14)19-13-8-5-11(2)6-9-13/h5-10H,4H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
VCYMYQPXPKWAJQ-UHFFFAOYSA-N
Compound name
N-ethyl-6-methyl-2-(4-methylanilino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 164.2
[M+Na]+ 292.142018 171.1
[M-H]- 268.145524 169.9
[M+NH4]+ 287.186623 178.9
[M+K]+ 308.115958 166.9
[M+H-H2O]+ 252.150060 155.4
[M+HCOO]- 314.151001 188.1
[M+CH3COO]- 328.166651 205.4
[M+Na-2H]- 290.127466 168.7
[M]+ 269.15225142 164.3
[M]- 269.15334858 164.3
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.