CID 3064942

106086-11-7

Structural Information

Molecular Formula
C15H19NO4S
SMILES
CC(C)(C)OC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H19NO4S/c1-15(2,3)20-14(19)16-11(13(17)18)9-21-12(16)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,17,18)
InChIKey
QTGJLLUGEPDNFX-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.1035 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11078 171.9
[M+Na]+ 332.09272 180.1
[M+NH4]+ 327.13732 177.7
[M+K]+ 348.06666 176.7
[M-H]- 308.09622 171.9
[M+Na-2H]- 330.07817 174.7
[M]+ 309.10295 173.2
[M]- 309.10405 173.2
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