CID 103296

65152-09-2

Structural Information

Molecular Formula
C11H12N2O3S3
SMILES
CN1CCSC1=CC=C2C(=O)N(C(=S)S2)CC(=O)O
InChI
InChI=1S/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)
InChIKey
AMSAICQWZZDCEM-UHFFFAOYSA-N
Compound name
2-[5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

316.001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.00828 171.8
[M+Na]+ 338.99022 180.2
[M-H]- 314.99372 173.9
[M+NH4]+ 334.03482 187.4
[M+K]+ 354.96416 173.3
[M+H-H2O]+ 298.99826 167.7
[M+HCOO]- 360.99920 173.4
[M+CH3COO]- 375.01485 197.6
[M+Na-2H]- 336.97567 163.6
[M]+ 316.00045 170.3
[M]- 316.00155 170.3
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