CID 165993975

4-[4-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)phenoxy]benzoic acid

Structural Information

Molecular Formula
C28H21NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C28H21NO5/c30-27(31)18-9-13-20(14-10-18)34-21-15-11-19(12-16-21)29-28(32)33-17-26-24-7-3-1-5-22(24)23-6-2-4-8-25(23)26/h1-16,26H,17H2,(H,29,32)(H,30,31)
InChIKey
NEZPMZIIMIVPCC-UHFFFAOYSA-N
Compound name
4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.14197 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.14925 209.4
[M+Na]+ 474.13119 223.7
[M+NH4]+ 469.17579 216.5
[M+K]+ 490.10513 217.0
[M-H]- 450.13469 216.0
[M+Na-2H]- 472.11664 217.3
[M]+ 451.14142 213.3
[M]- 451.14252 213.3
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.