CID 3049976

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

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CCCNC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H19N3O2/c1-3-10-18-16(20)14-5-4-11-17-15(14)19-12-6-8-13(21-2)9-7-12/h4-9,11H,3,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
XYNTZOPYZTWZFG-UHFFFAOYSA-N
Compound name
2-(4-methoxyanilino)-N-propylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 166.7
[M+Na]+ 308.13696 172.5
[M-H]- 284.14046 172.0
[M+NH4]+ 303.18156 180.3
[M+K]+ 324.11090 168.9
[M+H-H2O]+ 268.14500 157.4
[M+HCOO]- 330.14594 190.8
[M+CH3COO]- 344.16159 206.4
[M+Na-2H]- 306.12241 172.1
[M]+ 285.14719 167.8
[M]- 285.14829 167.8
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.