CID 211653

4-hydroxy-4-phenyl-3-veratryl-2-thiazolidinethione

Structural Information

Molecular Formula
C18H19NO3S2
SMILES
COC1=C(C=C(C=C1)CN2C(=S)SCC2(C3=CC=CC=C3)O)OC
InChI
InChI=1S/C18H19NO3S2/c1-21-15-9-8-13(10-16(15)22-2)11-19-17(23)24-12-18(19,20)14-6-4-3-5-7-14/h3-10,20H,11-12H2,1-2H3
InChIKey
RLQQLCQLNPFOGV-UHFFFAOYSA-N
Compound name
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.08063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08791 180.3
[M+Na]+ 384.06985 189.0
[M-H]- 360.07335 187.5
[M+NH4]+ 379.11445 195.7
[M+K]+ 400.04379 182.8
[M+H-H2O]+ 344.07789 173.8
[M+HCOO]- 406.07883 190.7
[M+CH3COO]- 420.09448 190.6
[M+Na-2H]- 382.05530 178.9
[M]+ 361.08008 184.0
[M]- 361.08118 184.0
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.