CID 3024850

Propionanilide, n-(3-pyridylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C15H16N2O
SMILES
CCC(=O)N(CC1=CN=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c1-2-15(18)17(14-8-4-3-5-9-14)12-13-7-6-10-16-11-13/h3-11H,2,12H2,1H3
InChIKey
GXLQXUPOLQPLNH-UHFFFAOYSA-N
Compound name
N-phenyl-N-(pyridin-3-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.9
[M+Na]+ 263.11549 169.6
[M+NH4]+ 258.16009 164.3
[M+K]+ 279.08943 161.9
[M-H]- 239.11899 160.7
[M+Na-2H]- 261.10094 166.0
[M]+ 240.12572 159.2
[M]- 240.12682 159.2
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.