CID 2736491

133054-21-4

Structural Information

Molecular Formula
C19H17NO4S
SMILES
C1[C@H](N(CS1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C19H17NO4S/c21-18(22)17-10-25-11-20(17)19(23)24-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1
InChIKey
HUWNZLPLVVGCMO-KRWDZBQOSA-N
Compound name
(4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

227
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

literature stripe

Patent stripe

patents stripe