CID 3070638

5-(4-amino-3-methoxybenzyl)-2,4-thiazolidinedione

Structural Information

Molecular Formula
C11H12N2O3S
SMILES
COC1=C(C=CC(=C1)CC2C(=O)NC(=O)S2)N
InChI
InChI=1S/C11H12N2O3S/c1-16-8-4-6(2-3-7(8)12)5-9-10(14)13-11(15)17-9/h2-4,9H,5,12H2,1H3,(H,13,14,15)
InChIKey
SNBJRZPGEVQCNE-UHFFFAOYSA-N
Compound name
5-[(4-amino-3-methoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

252.05687 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06415 154.2
[M+Na]+ 275.04609 162.9
[M-H]- 251.04959 158.5
[M+NH4]+ 270.09069 171.4
[M+K]+ 291.02003 158.3
[M+H-H2O]+ 235.05413 147.8
[M+HCOO]- 297.05507 170.9
[M+CH3COO]- 311.07072 191.1
[M+Na-2H]- 273.03154 152.9
[M]+ 252.05632 154.0
[M]- 252.05742 154.0
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

patents stripe