CID 1201937

(5z)-3-(2-aminoethyl)-5-(1,3-benzodioxol-5-ylmethylene)-1,3-thiazolidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C13H12N2O4S
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=O)S3)CCN
InChI
InChI=1S/C13H12N2O4S/c14-3-4-15-12(16)11(20-13(15)17)6-8-1-2-9-10(5-8)19-7-18-9/h1-2,5-6H,3-4,7,14H2/b11-6+
InChIKey
ZAWGHGDNVXQOKU-IZZDOVSWSA-N
Compound name
(5E)-3-(2-aminoethyl)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

292.0518 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05908 164.7
[M+Na]+ 315.04102 174.0
[M-H]- 291.04452 172.6
[M+NH4]+ 310.08562 181.3
[M+K]+ 331.01496 171.9
[M+H-H2O]+ 275.04906 159.9
[M+HCOO]- 337.05000 180.5
[M+CH3COO]- 351.06565 177.0
[M+Na-2H]- 313.02647 164.1
[M]+ 292.05125 167.5
[M]- 292.05235 167.5
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

No patent data available for this compound.