CID 2333515

478792-19-7

Structural Information

Molecular Formula
C15H18N2O5S
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=O)S2)CCN
InChI
InChI=1S/C15H18N2O5S/c1-20-10-6-9(7-11(21-2)13(10)22-3)8-12-14(18)17(5-4-16)15(19)23-12/h6-8H,4-5,16H2,1-3H3/b12-8+
InChIKey
XQYKSNBUAJLARQ-XYOKQWHBSA-N
Compound name
(5E)-3-(2-aminoethyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09363 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10091 176.0
[M+Na]+ 361.08285 184.7
[M-H]- 337.08635 181.6
[M+NH4]+ 356.12745 190.7
[M+K]+ 377.05679 180.9
[M+H-H2O]+ 321.09089 168.9
[M+HCOO]- 383.09183 193.3
[M+CH3COO]- 397.10748 211.1
[M+Na-2H]- 359.06830 172.5
[M]+ 338.09308 181.8
[M]- 338.09418 181.8
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

No patent data available for this compound.