CID 112123

10505-45-0

Structural Information

Molecular Formula
C9H12N2OS3
SMILES
CCN1C(=O)C(=C2N(CCS2)C)SC1=S
InChI
InChI=1S/C9H12N2OS3/c1-3-11-7(12)6(15-9(11)13)8-10(2)4-5-14-8/h3-5H2,1-2H3
InChIKey
LLNMOYQUPSTPAA-UHFFFAOYSA-N
Compound name
3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

260.01117 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01845 156.9
[M+Na]+ 283.00039 167.3
[M-H]- 259.00389 160.9
[M+NH4]+ 278.04499 176.0
[M+K]+ 298.97433 161.6
[M+H-H2O]+ 243.00843 152.7
[M+HCOO]- 305.00937 161.0
[M+CH3COO]- 319.02502 168.0
[M+Na-2H]- 280.98584 149.7
[M]+ 260.01062 155.9
[M]- 260.01172 155.9
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