CID 3061680

Brn 5748309

Structural Information

Molecular Formula
C12H13NO4S
SMILES
COC1=C(C=C(C=C1)CC2C(=O)NC(=O)S2)OC
InChI
InChI=1S/C12H13NO4S/c1-16-8-4-3-7(5-9(8)17-2)6-10-11(14)13-12(15)18-10/h3-5,10H,6H2,1-2H3,(H,13,14,15)
InChIKey
WDUZRWSPRFGTGA-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

267.05652 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06380 157.4
[M+Na]+ 290.04574 166.4
[M-H]- 266.04924 162.2
[M+NH4]+ 285.09034 174.6
[M+K]+ 306.01968 162.8
[M+H-H2O]+ 250.05378 151.2
[M+HCOO]- 312.05472 173.7
[M+CH3COO]- 326.07037 191.7
[M+Na-2H]- 288.03119 156.2
[M]+ 267.05597 160.8
[M]- 267.05707 160.8
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