CID 133264

Risarestat

Structural Information

Molecular Formula

C₁₆H₂₁NO₄S

SMILES

CCCCCOC1=C(C=C(C=C1)C2C(=O)NC(=O)S2)OCC

InChI

InChI=1S/C16H21NO4S/c1-3-5-6-9-21-12-8-7-11(10-13(12)20-4-2)14-15(18)17-16(19)22-14/h7-8,10,14H,3-6,9H2,1-2H3,(H,17,18,19)

InChIKey

CRPGRUONUFDYBG-UHFFFAOYSA-N

Compound name

5-(3-ethoxy-4-pentoxyphenyl)-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 30
References: 1491
Patents: 323.11914 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.12642	174.8
[M+Na]+	346.10836	182.0
[M-H]-	322.11186	178.8
[M+NH4]+	341.15296	189.7
[M+K]+	362.08230	177.5
[M+H-H2O]+	306.11640	167.8
[M+HCOO]-	368.11734	189.8
[M+CH3COO]-	382.13299	203.6
[M+Na-2H]-	344.09381	171.7
[M]+	323.11859	179.5
[M]-	323.11969	179.5

Literature stripe

literature stripe

Patent stripe

patents stripe