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
2
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]+ 285.072576 166.0
[M+Na]+ 307.054518 175.2
[M-H]- 283.058024 170.8
[M+NH4]+ 302.099123 183.1
[M+K]+ 323.028458 171.0
[M+H-H2O]+ 267.062560 161.1
[M+HCOO]- 329.063501 174.5
[M+CH3COO]- 343.079151 195.5
[M+Na-2H]- 305.039966 159.0
[M]+ 284.06475142 167.1
[M]- 284.06584858 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.