CID 137698937

2137446-63-8

Structural Information

Molecular Formula
C25H21NO5S
SMILES
C1C(N(C(S1)C2=CC=C(C=C2)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H21NO5S/c27-16-11-9-15(10-12-16)23-26(22(14-32-23)24(28)29)25(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-23,27H,13-14H2,(H,28,29)
InChIKey
IIQPJESQDNAUND-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.11404 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.12132 205.0
[M+Na]+ 470.10326 211.4
[M-H]- 446.10676 213.3
[M+NH4]+ 465.14786 217.2
[M+K]+ 486.07720 206.2
[M+H-H2O]+ 430.11130 198.7
[M+HCOO]- 492.11224 215.6
[M+CH3COO]- 506.12789 213.3
[M+Na-2H]- 468.08871 200.9
[M]+ 447.11349 208.0
[M]- 447.11459 208.0
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.