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
1
Annotation Hits

7
References

790
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 190.7
[M+Na]+ 398.13628 203.7
[M+NH4]+ 393.18088 196.9
[M+K]+ 414.11022 196.8
[M-H]- 374.13978 196.1
[M+Na-2H]- 396.12173 199.7
[M]+ 375.14651 194.0
[M]- 375.14761 194.0
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