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]+ 227.11789 151.3
[M+Na]+ 249.09983 165.2
[M+NH4]+ 244.14443 159.9
[M+K]+ 265.07377 157.9
[M-H]- 225.10333 156.2
[M+Na-2H]- 247.08528 161.7
[M]+ 226.11006 154.7
[M]- 226.11116 154.7
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.