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]+ 252.05113 153.6
[M+Na]+ 274.03307 162.8
[M-H]- 250.03657 159.4
[M+NH4]+ 269.07767 172.5
[M+K]+ 290.00701 157.8
[M+H-H2O]+ 234.04111 147.9
[M+HCOO]- 296.04205 164.3
[M+CH3COO]- 310.05770 192.2
[M+Na-2H]- 272.01852 150.1
[M]+ 251.04330 154.7
[M]- 251.04440 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.