CID 5165045

1043933-69-2

Structural Information

Molecular Formula
C19H17NO4S
SMILES
C1CSC(N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C19H17NO4S/c21-18(22)17-20(9-10-25-17)19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)
InChIKey
WVHICFRRDSXAJA-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.08783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09511 183.0
[M+Na]+ 378.07705 190.2
[M-H]- 354.08055 189.3
[M+NH4]+ 373.12165 200.0
[M+K]+ 394.05099 186.0
[M+H-H2O]+ 338.08509 177.5
[M+HCOO]- 400.08603 195.7
[M+CH3COO]- 414.10168 193.2
[M+Na-2H]- 376.06250 180.6
[M]+ 355.08728 186.1
[M]- 355.08838 186.1
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.