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 150.8
[M+Na]+ 249.09983 156.7
[M-H]- 225.10333 157.2
[M+NH4]+ 244.14443 167.3
[M+K]+ 265.07377 154.3
[M+H-H2O]+ 209.10787 141.9
[M+HCOO]- 271.10881 174.8
[M+CH3COO]- 285.12446 194.3
[M+Na-2H]- 247.08528 157.5
[M]+ 226.11006 150.9
[M]- 226.11116 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.