CID 6441322

Einecs 234-034-4

Structural Information

Molecular Formula
C12H16N2O2S2
SMILES
CCN\1CCS/C1=C\C=C\2/C(=O)N(C(=S)O2)CC
InChI
InChI=1S/C12H16N2O2S2/c1-3-13-7-8-18-10(13)6-5-9-11(15)14(4-2)12(17)16-9/h5-6H,3-4,7-8H2,1-2H3/b9-5+,10-6-
InChIKey
GXONTCVUWDZAFL-POQLCMLLSA-N
Compound name
(5E)-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0653 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07258 166.0
[M+Na]+ 307.05452 175.2
[M-H]- 283.05802 170.8
[M+NH4]+ 302.09912 183.1
[M+K]+ 323.02846 171.0
[M+H-H2O]+ 267.06256 161.1
[M+HCOO]- 329.06350 174.5
[M+CH3COO]- 343.07915 195.5
[M+Na-2H]- 305.03997 159.0
[M]+ 284.06475 167.1
[M]- 284.06585 167.1
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.