CID 99773

23538-08-1

Structural Information

Molecular Formula
C11H11NOS2
SMILES
CC(C1=CC=CC=C1)N2C(=O)CSC2=S
InChI
InChI=1S/C11H11NOS2/c1-8(9-5-3-2-4-6-9)12-10(13)7-15-11(12)14/h2-6,8H,7H2,1H3
InChIKey
KQSHNYSKESUNOZ-UHFFFAOYSA-N
Compound name
3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02821 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03549 150.1
[M+Na]+ 260.01743 159.0
[M-H]- 236.02093 155.7
[M+NH4]+ 255.06203 169.3
[M+K]+ 275.99137 154.1
[M+H-H2O]+ 220.02547 144.2
[M+HCOO]- 282.02641 161.2
[M+CH3COO]- 296.04206 188.2
[M+Na-2H]- 258.00288 147.6
[M]+ 237.02766 150.4
[M]- 237.02876 150.4
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.