CID 506621

P-(nicotinylamino)acetanilide

Structural Information

Molecular Formula
C14H15N3O
SMILES
CC(=O)NC1=CC=C(C=C1)NCC2=CN=CC=C2
InChI
InChI=1S/C14H15N3O/c1-11(18)17-14-6-4-13(5-7-14)16-10-12-3-2-8-15-9-12/h2-9,16H,10H2,1H3,(H,17,18)
InChIKey
YLRJXYKPRXDIKP-UHFFFAOYSA-N
Compound name
N-[4-(pyridin-3-ylmethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 154.3
[M+Na]+ 264.110718 160.2
[M-H]- 240.114224 159.5
[M+NH4]+ 259.155323 169.5
[M+K]+ 280.084658 156.4
[M+H-H2O]+ 224.118760 145.5
[M+HCOO]- 286.119701 178.9
[M+CH3COO]- 300.135351 197.0
[M+Na-2H]- 262.096166 161.5
[M]+ 241.12095142 152.9
[M]- 241.12204858 152.9
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.