CID 211654

23509-76-4

Structural Information

Molecular Formula
C19H21NO3S2
SMILES
COC1=C(C=C(C=C1)CCN2C(=S)SCC2(C3=CC=CC=C3)O)OC
InChI
InChI=1S/C19H21NO3S2/c1-22-16-9-8-14(12-17(16)23-2)10-11-20-18(24)25-13-19(20,21)15-6-4-3-5-7-15/h3-9,12,21H,10-11,13H2,1-2H3
InChIKey
KVLZQOQOICESIA-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.09628 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10356 184.3
[M+Na]+ 398.08550 192.6
[M-H]- 374.08900 191.2
[M+NH4]+ 393.13010 199.1
[M+K]+ 414.05944 186.1
[M+H-H2O]+ 358.09354 177.6
[M+HCOO]- 420.09448 194.3
[M+CH3COO]- 434.11013 194.1
[M+Na-2H]- 396.07095 182.5
[M]+ 375.09573 188.3
[M]- 375.09683 188.3
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.