CID 5498516

Einecs 252-734-8

Structural Information

Molecular Formula
C11H14N2O2S2
SMILES
CCN1C(=O)/C(=C\C=C\2/N(CCS2)C)/OC1=S
InChI
InChI=1S/C11H14N2O2S2/c1-3-13-10(14)8(15-11(13)16)4-5-9-12(2)6-7-17-9/h4-5H,3,6-7H2,1-2H3/b8-4+,9-5+
InChIKey
SAEAAROWQNNEDY-KBXRYBNXSA-N
Compound name
(5E)-3-ethyl-5-[(2E)-2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

270.04968 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05696 161.9
[M+Na]+ 293.03890 171.6
[M-H]- 269.04240 166.9
[M+NH4]+ 288.08350 179.5
[M+K]+ 309.01284 167.6
[M+H-H2O]+ 253.04694 157.1
[M+HCOO]- 315.04788 170.7
[M+CH3COO]- 329.06353 192.6
[M+Na-2H]- 291.02435 155.3
[M]+ 270.04913 162.6
[M]- 270.05023 162.6
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.