CID 2339361

N-(3-formylphenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C15H13NO2
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C=O
InChI
InChI=1S/C15H13NO2/c1-11-5-7-13(8-6-11)15(18)16-14-4-2-3-12(9-14)10-17/h2-10H,1H3,(H,16,18)
InChIKey
AIPICUWLSCQEHH-UHFFFAOYSA-N
Compound name
N-(3-formylphenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 152.8
[M+Na]+ 262.083858 160.3
[M-H]- 238.087364 159.8
[M+NH4]+ 257.128463 170.0
[M+K]+ 278.057798 156.5
[M+H-H2O]+ 222.091900 145.2
[M+HCOO]- 284.092841 177.7
[M+CH3COO]- 298.108491 194.8
[M+Na-2H]- 260.069306 158.1
[M]+ 239.09409142 153.0
[M]- 239.09518858 153.0
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