CID 5721333

302934-46-9

Structural Information

Molecular Formula
C14H13NO4S3
SMILES
C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=C(C=C3)O)/SC2=S
InChI
InChI=1S/C14H13NO4S3/c16-11-3-1-9(2-4-11)7-12-13(17)15(14(20)21-12)10-5-6-22(18,19)8-10/h1-4,7,10,16H,5-6,8H2/b12-7-
InChIKey
IXDLNZFUDDXWRA-GHXNOFRVSA-N
Compound name
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.00067 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.00795 179.3
[M+Na]+ 377.98989 189.3
[M-H]- 353.99339 185.8
[M+NH4]+ 373.03449 196.5
[M+K]+ 393.96383 181.7
[M+H-H2O]+ 337.99793 176.1
[M+HCOO]- 399.99887 184.2
[M+CH3COO]- 414.01452 189.2
[M+Na-2H]- 375.97534 175.1
[M]+ 355.00012 179.2
[M]- 355.00122 179.2
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.