CID 3049970

N-propyl-2-p-(p-toluidino)nicotinamide

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCCNC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)C
InChI
InChI=1S/C16H19N3O/c1-3-10-18-16(20)14-5-4-11-17-15(14)19-13-8-6-12(2)7-9-13/h4-9,11H,3,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
MYHLRFUGRCPSLK-UHFFFAOYSA-N
Compound name
2-(4-methylanilino)-N-propylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 163.8
[M+Na]+ 292.142018 169.7
[M-H]- 268.145524 169.1
[M+NH4]+ 287.186623 178.2
[M+K]+ 308.115958 165.5
[M+H-H2O]+ 252.150060 154.7
[M+HCOO]- 314.151001 187.7
[M+CH3COO]- 328.166651 204.2
[M+Na-2H]- 290.127466 169.1
[M]+ 269.15225142 163.5
[M]- 269.15334858 163.5
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.