CID 211725

23522-54-5

Structural Information

Molecular Formula
C13H14ClNOS2
SMILES
CCCCC1C(=O)N(C(=S)S1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H14ClNOS2/c1-2-3-7-11-12(16)15(13(17)18-11)10-6-4-5-9(14)8-10/h4-6,8,11H,2-3,7H2,1H3
InChIKey
PKXDPJSQVRUEIF-UHFFFAOYSA-N
Compound name
5-butyl-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.02054 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.02782 164.3
[M+Na]+ 322.00976 174.6
[M-H]- 298.01326 170.2
[M+NH4]+ 317.05436 182.4
[M+K]+ 337.98370 167.4
[M+H-H2O]+ 282.01780 159.2
[M+HCOO]- 344.01874 171.1
[M+CH3COO]- 358.03439 199.1
[M+Na-2H]- 319.99521 160.1
[M]+ 299.01999 168.3
[M]- 299.02109 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.