CID 3061684

Brn 5632497

Structural Information

Molecular Formula
C19H27NO5S
SMILES
CCCOC1=CC(=C(C=C1CC2C(=O)NC(=O)S2)OCCC)OCCC
InChI
InChI=1S/C19H27NO5S/c1-4-7-23-14-12-16(25-9-6-3)15(24-8-5-2)10-13(14)11-17-18(21)20-19(22)26-17/h10,12,17H,4-9,11H2,1-3H3,(H,20,21,22)
InChIKey
RHEDZSBWHHITNI-UHFFFAOYSA-N
Compound name
5-[(2,4,5-tripropoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.16098 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16826 190.1
[M+Na]+ 404.15020 196.3
[M-H]- 380.15370 193.8
[M+NH4]+ 399.19480 202.7
[M+K]+ 420.12414 191.9
[M+H-H2O]+ 364.15824 182.6
[M+HCOO]- 426.15918 204.2
[M+CH3COO]- 440.17483 215.9
[M+Na-2H]- 402.13565 185.2
[M]+ 381.16043 197.6
[M]- 381.16153 197.6
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