CID 653424

N-[4-(pyridin-4-ylmethyl)phenyl]acetamide

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2
InChI
InChI=1S/C14H14N2O/c1-11(17)16-14-4-2-12(3-5-14)10-13-6-8-15-9-7-13/h2-9H,10H2,1H3,(H,16,17)
InChIKey
PJZVXHILLZKMEX-UHFFFAOYSA-N
Compound name
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
Patents

226.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.8
[M+Na]+ 249.099828 157.6
[M-H]- 225.103334 156.1
[M+NH4]+ 244.144433 167.0
[M+K]+ 265.073768 153.8
[M+H-H2O]+ 209.107870 142.4
[M+HCOO]- 271.108811 174.4
[M+CH3COO]- 285.124461 192.0
[M+Na-2H]- 247.085276 157.5
[M]+ 226.11006142 150.1
[M]- 226.11115858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe