CID 215462

Brn 0552452

Structural Information

Molecular Formula
C13H17NO3S2
SMILES
COC1=CC(=CC(=C1OC)OC)C(=S)N2CCSC2
InChI
InChI=1S/C13H17NO3S2/c1-15-10-6-9(7-11(16-2)12(10)17-3)13(18)14-4-5-19-8-14/h6-7H,4-5,8H2,1-3H3
InChIKey
VICCPASDDVXUTL-UHFFFAOYSA-N
Compound name
1,3-thiazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.06497 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07225 165.8
[M+Na]+ 322.05419 173.7
[M-H]- 298.05769 171.2
[M+NH4]+ 317.09879 182.6
[M+K]+ 338.02813 170.0
[M+H-H2O]+ 282.06223 159.5
[M+HCOO]- 344.06317 176.5
[M+CH3COO]- 358.07882 199.3
[M+Na-2H]- 320.03964 162.4
[M]+ 299.06442 170.5
[M]- 299.06552 170.5
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

patents stripe