CID 5272177

N-(4-oxaldehydoylphenyl)benzamide

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C=O
InChI
InChI=1S/C15H11NO3/c17-10-14(18)11-6-8-13(9-7-11)16-15(19)12-4-2-1-3-5-12/h1-10H,(H,16,19)
InChIKey
AZBXYKDNDSRBJS-UHFFFAOYSA-N
Compound name
N-(4-oxaldehydoylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

253.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 155.2
[M+Na]+ 276.06312 161.6
[M-H]- 252.06662 161.9
[M+NH4]+ 271.10772 171.2
[M+K]+ 292.03706 158.4
[M+H-H2O]+ 236.07116 147.4
[M+HCOO]- 298.07210 179.5
[M+CH3COO]- 312.08775 195.8
[M+Na-2H]- 274.04857 160.0
[M]+ 253.07335 155.1
[M]- 253.07445 155.1
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