CID 3020271

3-(phenethyl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1=CC=C(C=C1)CCC2=C(N=CC=C2)C(=O)N
InChI
InChI=1S/C14H14N2O/c15-14(17)13-12(7-4-10-16-13)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,15,17)
InChIKey
PDHDODYVLUEHER-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 151.1
[M+Na]+ 249.099828 157.8
[M-H]- 225.103334 155.9
[M+NH4]+ 244.144433 167.0
[M+K]+ 265.073768 153.7
[M+H-H2O]+ 209.107870 142.7
[M+HCOO]- 271.108811 174.1
[M+CH3COO]- 285.124461 192.0
[M+Na-2H]- 247.085276 156.8
[M]+ 226.11006142 149.5
[M]- 226.11115858 149.5
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

patents stripe