CID 211700

23517-75-1

Structural Information

Molecular Formula
C15H19NO2S2
SMILES
CCCCC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C15H19NO2S2/c1-3-5-6-13-14(17)16(15(19)20-13)11-7-9-12(10-8-11)18-4-2/h7-10,13H,3-6H2,1-2H3
InChIKey
WCTHJFQWCCCEMA-UHFFFAOYSA-N
Compound name
5-butyl-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.08572 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09300 169.3
[M+Na]+ 332.07494 178.0
[M-H]- 308.07844 174.7
[M+NH4]+ 327.11954 186.1
[M+K]+ 348.04888 172.2
[M+H-H2O]+ 292.08298 162.9
[M+HCOO]- 354.08392 180.3
[M+CH3COO]- 368.09957 203.3
[M+Na-2H]- 330.06039 165.0
[M]+ 309.08517 173.7
[M]- 309.08627 173.7
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.