CID 211708

23522-16-9

Structural Information

Molecular Formula
C15H19NOS2
SMILES
CCCCC1C(=O)N(C(=S)S1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C15H19NOS2/c1-3-4-10-13-14(17)16(15(18)19-13)11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3
InChIKey
JYYQBQLDJQFEIR-UHFFFAOYSA-N
Compound name
5-butyl-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09082 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09810 166.3
[M+Na]+ 316.08004 174.1
[M-H]- 292.08354 171.4
[M+NH4]+ 311.12464 183.4
[M+K]+ 332.05398 168.3
[M+H-H2O]+ 276.08808 159.9
[M+HCOO]- 338.08902 176.0
[M+CH3COO]- 352.10467 201.0
[M+Na-2H]- 314.06549 161.4
[M]+ 293.09027 168.3
[M]- 293.09137 168.3
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.