CID 56915

N-(3-pyridylmethyl)acetanilide hydrochloride

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC(=O)N(CC1=CN=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O/c1-12(17)16(14-7-3-2-4-8-14)11-13-6-5-9-15-10-13/h2-10H,11H2,1H3
InChIKey
MZAARDUYKCMJHW-UHFFFAOYSA-N
Compound name
N-phenyl-N-(pyridin-3-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.8
[M+Na]+ 249.099828 156.7
[M-H]- 225.103334 157.2
[M+NH4]+ 244.144433 167.3
[M+K]+ 265.073768 154.3
[M+H-H2O]+ 209.107870 141.9
[M+HCOO]- 271.108811 174.8
[M+CH3COO]- 285.124461 194.3
[M+Na-2H]- 247.085276 157.5
[M]+ 226.11006142 150.9
[M]- 226.11115858 150.9
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.