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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 152.9
[M+Na]+ 263.079088 159.8
[M-H]- 239.082594 158.2
[M+NH4]+ 258.123693 168.3
[M+K]+ 279.053028 156.0
[M+H-H2O]+ 223.087130 144.2
[M+HCOO]- 285.088071 176.8
[M+CH3COO]- 299.103721 193.3
[M+Na-2H]- 261.064536 159.6
[M]+ 240.08932142 152.8
[M]- 240.09041858 152.8
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