CID 211736

23538-10-5

Structural Information

Molecular Formula
C13H15NOS2
SMILES
CCC1C(=O)N(C(=S)S1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C13H15NOS2/c1-3-11-12(15)14(13(16)17-11)9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKey
ZFHWEHVYFFJLBE-UHFFFAOYSA-N
Compound name
5-ethyl-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0595 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06678 157.9
[M+Na]+ 288.04872 166.6
[M-H]- 264.05222 163.4
[M+NH4]+ 283.09332 176.2
[M+K]+ 304.02266 161.3
[M+H-H2O]+ 248.05676 151.9
[M+HCOO]- 310.05770 168.2
[M+CH3COO]- 324.07335 195.2
[M+Na-2H]- 286.03417 153.9
[M]+ 265.05895 159.3
[M]- 265.06005 159.3
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.