CID 211735

23538-09-2

Structural Information

Molecular Formula
C12H13NOS2
SMILES
CC1C(=O)N(C(=S)S1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C12H13NOS2/c1-8(10-6-4-3-5-7-10)13-11(14)9(2)16-12(13)15/h3-9H,1-2H3
InChIKey
QJZUHKFLFBSWMU-UHFFFAOYSA-N
Compound name
5-methyl-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04385 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.051126 153.6
[M+Na]+ 274.033068 162.8
[M-H]- 250.036574 159.4
[M+NH4]+ 269.077673 172.5
[M+K]+ 290.007008 157.8
[M+H-H2O]+ 234.041110 147.9
[M+HCOO]- 296.042051 164.3
[M+CH3COO]- 310.057701 192.2
[M+Na-2H]- 272.018516 150.1
[M]+ 251.04330142 154.7
[M]- 251.04439858 154.7
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.