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]+ 270.16008 164.2
[M+Na]+ 292.14202 171.1
[M-H]- 268.14552 169.9
[M+NH4]+ 287.18662 178.9
[M+K]+ 308.11596 166.9
[M+H-H2O]+ 252.15006 155.4
[M+HCOO]- 314.15100 188.1
[M+CH3COO]- 328.16665 205.4
[M+Na-2H]- 290.12747 168.7
[M]+ 269.15225 164.3
[M]- 269.15335 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.