CID 3058352

75147-56-7

Structural Information

Molecular Formula
C17H19NO6S2
SMILES
CC(=O)OC1=CC=CC=C1C2N(C(CS2)C(=O)O)C(=O)CCSC(=O)C
InChI
InChI=1S/C17H19NO6S2/c1-10(19)24-14-6-4-3-5-12(14)16-18(13(9-26-16)17(22)23)15(21)7-8-25-11(2)20/h3-6,13,16H,7-9H2,1-2H3,(H,22,23)
InChIKey
XNWRFHDIFVKSNS-UHFFFAOYSA-N
Compound name
2-(2-acetyloxyphenyl)-3-(3-acetylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

397.06537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07265 189.1
[M+Na]+ 420.05459 195.1
[M+NH4]+ 415.09919 193.0
[M+K]+ 436.02853 191.0
[M-H]- 396.05809 187.9
[M+Na-2H]- 418.04004 189.3
[M]+ 397.06482 189.9
[M]- 397.06592 189.9
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

patents stripe