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

5
Patents

239.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 152.8
[M+Na]+ 262.08386 160.3
[M-H]- 238.08736 159.8
[M+NH4]+ 257.12846 170.0
[M+K]+ 278.05780 156.5
[M+H-H2O]+ 222.09190 145.2
[M+HCOO]- 284.09284 177.7
[M+CH3COO]- 298.10849 194.8
[M+Na-2H]- 260.06931 158.1
[M]+ 239.09409 153.0
[M]- 239.09519 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