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]+ 270.16008 163.8
[M+Na]+ 292.14202 169.7
[M-H]- 268.14552 169.1
[M+NH4]+ 287.18662 178.2
[M+K]+ 308.11596 165.5
[M+H-H2O]+ 252.15006 154.7
[M+HCOO]- 314.15100 187.7
[M+CH3COO]- 328.16665 204.2
[M+Na-2H]- 290.12747 169.1
[M]+ 269.15225 163.5
[M]- 269.15335 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.