CID 119753

27930-87-6

Structural Information

Molecular Formula
C11H14N2OS3
SMILES
CCN1C(=O)C(=CC=C2N(CCS2)C)SC1=S
InChI
InChI=1S/C11H14N2OS3/c1-3-13-10(14)8(17-11(13)15)4-5-9-12(2)6-7-16-9/h4-5H,3,6-7H2,1-2H3
InChIKey
WBOILOFIBGGYFC-UHFFFAOYSA-N
Compound name
3-ethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

286.02682 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03410 164.8
[M+Na]+ 309.01604 174.7
[M-H]- 285.01954 168.5
[M+NH4]+ 304.06064 182.9
[M+K]+ 324.98998 168.0
[M+H-H2O]+ 269.02408 160.4
[M+HCOO]- 331.02502 168.5
[M+CH3COO]- 345.04067 195.9
[M+Na-2H]- 307.00149 156.7
[M]+ 286.02627 163.7
[M]- 286.02737 163.7
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.