CID 10356320

158562-98-2

Structural Information

Molecular Formula
C13H16N2O3S
SMILES
CNCCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2
InChI
InChI=1S/C13H16N2O3S/c1-14-6-7-18-10-4-2-9(3-5-10)8-11-12(16)15-13(17)19-11/h2-5,11,14H,6-8H2,1H3,(H,15,16,17)
InChIKey
BPSKNLFJDYBECE-UHFFFAOYSA-N
Compound name
5-[[4-[2-(methylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

280.08817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09545 164.1
[M+Na]+ 303.07739 173.4
[M+NH4]+ 298.12199 170.8
[M+K]+ 319.05133 167.5
[M-H]- 279.08089 166.0
[M+Na-2H]- 301.06284 167.9
[M]+ 280.08762 166.0
[M]- 280.08872 166.0
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