CID 3061042

Nicotinamide, 2-(p-anisidino)-6-methyl-n-propyl-

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CCCNC(=O)C1=C(N=C(C=C1)C)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H21N3O2/c1-4-11-18-17(21)15-10-5-12(2)19-16(15)20-13-6-8-14(22-3)9-7-13/h5-10H,4,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
IEOOYYIHYDNARC-UHFFFAOYSA-N
Compound name
2-(4-methoxyanilino)-6-methyl-N-propylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 171.7
[M+Na]+ 322.152618 177.9
[M-H]- 298.156124 177.1
[M+NH4]+ 317.197223 185.0
[M+K]+ 338.126558 174.2
[M+H-H2O]+ 282.160660 162.4
[M+HCOO]- 344.161601 195.4
[M+CH3COO]- 358.177251 210.6
[M+Na-2H]- 320.138066 175.7
[M]+ 299.16285142 173.5
[M]- 299.16394858 173.5
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.