CID 233151

N-benzylpyridine-4-carboxamide

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H12N2O/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
InChIKey
YIGMDKYIWMVZDV-UHFFFAOYSA-N
Compound name
N-benzylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

54
Patents

212.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 146.1
[M+Na]+ 235.08418 152.4
[M-H]- 211.08768 151.2
[M+NH4]+ 230.12878 162.6
[M+K]+ 251.05812 148.8
[M+H-H2O]+ 195.09222 137.7
[M+HCOO]- 257.09316 170.0
[M+CH3COO]- 271.10881 187.9
[M+Na-2H]- 233.06963 154.1
[M]+ 212.09441 144.6
[M]- 212.09551 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe