CID 59749716

167980-35-0

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C14H12N2O2/c17-10-11-3-5-13(6-4-11)14(18)16-9-12-2-1-7-15-8-12/h1-8,10H,9H2,(H,16,18)

InChIKey

DPEHRNCDKBZNNU-UHFFFAOYSA-N

Compound name

4-formyl-N-(pyridin-3-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 240.08987 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.09715	152.9
[M+Na]+	263.07909	159.8
[M-H]-	239.08259	158.2
[M+NH4]+	258.12369	168.3
[M+K]+	279.05303	156.0
[M+H-H2O]+	223.08713	144.2
[M+HCOO]-	285.08807	176.8
[M+CH3COO]-	299.10372	193.3
[M+Na-2H]-	261.06454	159.6
[M]+	240.08932	152.8
[M]-	240.09042	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe