CID 220736

3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C10H9NO2S2
SMILES
COC1=CC=C(C=C1)N2C(=O)CSC2=S
InChI
InChI=1S/C10H9NO2S2/c1-13-8-4-2-7(3-5-8)11-9(12)6-15-10(11)14/h2-5H,6H2,1H3
InChIKey
BEYLABROUJKUBN-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

239.00748 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.01476 149.0
[M+Na]+ 261.99670 159.2
[M-H]- 238.00020 155.0
[M+NH4]+ 257.04130 168.3
[M+K]+ 277.97064 154.5
[M+H-H2O]+ 222.00474 143.3
[M+HCOO]- 284.00568 161.6
[M+CH3COO]- 298.02133 187.5
[M+Na-2H]- 259.98215 147.4
[M]+ 239.00693 151.2
[M]- 239.00803 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe