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 162.3
[M+Na]+ 303.07739 169.2
[M-H]- 279.08089 166.4
[M+NH4]+ 298.12199 178.4
[M+K]+ 319.05133 164.6
[M+H-H2O]+ 263.08543 155.2
[M+HCOO]- 325.08637 179.0
[M+CH3COO]- 339.10202 196.4
[M+Na-2H]- 301.06284 161.8
[M]+ 280.08762 163.3
[M]- 280.08872 163.3
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