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]+ 272.139356 162.2
[M+Na]+ 294.121298 168.4
[M-H]- 270.124804 167.7
[M+NH4]+ 289.165903 176.4
[M+K]+ 310.095238 165.1
[M+H-H2O]+ 254.129340 153.1
[M+HCOO]- 316.130281 186.7
[M+CH3COO]- 330.145931 203.4
[M+Na-2H]- 292.106746 168.1
[M]+ 271.13153142 163.0
[M]- 271.13262858 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.