CID 3061689

Brn 5558540

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
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

literature stripe

Patent stripe

patents stripe