CID 239062

Xenazoic acid

Structural Information

Molecular Formula
C23H21NO4
SMILES
CCOC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C23H21NO4/c1-2-28-22(24-20-14-12-19(13-15-20)23(26)27)21(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15,22,24H,2H2,1H3,(H,26,27)
InChIKey
BPOMPTVRBWXZBY-UHFFFAOYSA-N
Compound name
4-[[1-ethoxy-2-oxo-2-(4-phenylphenyl)ethyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

851
Patents

375.14706 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 189.5
[M+Na]+ 398.13628 192.9
[M-H]- 374.13978 197.2
[M+NH4]+ 393.18088 199.0
[M+K]+ 414.11022 188.8
[M+H-H2O]+ 358.14432 179.5
[M+HCOO]- 420.14526 209.6
[M+CH3COO]- 434.16091 219.2
[M+Na-2H]- 396.12173 190.3
[M]+ 375.14651 189.5
[M]- 375.14761 189.5
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

No patent data available for this compound.