CID 3049975

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

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CCNC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H17N3O2/c1-3-16-15(19)13-5-4-10-17-14(13)18-11-6-8-12(20-2)9-7-11/h4-10H,3H2,1-2H3,(H,16,19)(H,17,18)
InChIKey
CUHDXTDLBTZBGS-UHFFFAOYSA-N
Compound name
N-ethyl-2-(4-methoxyanilino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 162.2
[M+Na]+ 294.12130 168.4
[M-H]- 270.12480 167.7
[M+NH4]+ 289.16590 176.4
[M+K]+ 310.09524 165.1
[M+H-H2O]+ 254.12934 153.1
[M+HCOO]- 316.13028 186.7
[M+CH3COO]- 330.14593 203.4
[M+Na-2H]- 292.10675 168.1
[M]+ 271.13153 163.0
[M]- 271.13263 163.0
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.