CID 117588

25651-76-7

Structural Information

Molecular Formula
C12H14N2O3S3
SMILES
CC(=C1C(=O)N(C(=S)S1)CC(=O)O)C=C2N(CCS2)C
InChI
InChI=1S/C12H14N2O3S3/c1-7(5-8-13(2)3-4-19-8)10-11(17)14(6-9(15)16)12(18)20-10/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKey
LNKNWPNGZMWPFA-UHFFFAOYSA-N
Compound name
2-[5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

330.01666 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.02394 177.2
[M+Na]+ 353.00588 182.2
[M+NH4]+ 348.05048 182.4
[M+K]+ 368.97982 176.6
[M-H]- 329.00938 176.1
[M+Na-2H]- 350.99133 174.7
[M]+ 330.01611 178.3
[M]- 330.01721 178.3
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