CID 19383

P-(p-phenylphenacylideneamino)benzoic acid

Structural Information

Molecular Formula
C21H15NO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C21H15NO3/c23-20(14-22-19-12-10-18(11-13-19)21(24)25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,24,25)
InChIKey
PCESDWWIFVPSOX-UHFFFAOYSA-N
Compound name
4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

329.1052 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11248 177.0
[M+Na]+ 352.09442 182.7
[M-H]- 328.09792 186.5
[M+NH4]+ 347.13902 189.4
[M+K]+ 368.06836 177.8
[M+H-H2O]+ 312.10246 167.3
[M+HCOO]- 374.10340 200.4
[M+CH3COO]- 388.11905 211.2
[M+Na-2H]- 350.07987 180.3
[M]+ 329.10465 176.6
[M]- 329.10575 176.6
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