CID 12000328

N-desmethyl rosiglitazone

Structural Information

Molecular Formula

C₁₇H₁₇N₃O₃S

SMILES

C1=CC=NC(=C1)NCCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3

InChI

InChI=1S/C17H17N3O3S/c21-16-14(24-17(22)20-16)11-12-4-6-13(7-5-12)23-10-9-19-15-3-1-2-8-18-15/h1-8,14H,9-11H2,(H,18,19)(H,20,21,22)

InChIKey

ZJQTVMXUIGXRMR-UHFFFAOYSA-N

Compound name

5-[[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 4
Patents: 343.09906 Da
Monoisotopic Mass: 3.0
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]+	344.106336	177.5
[M+Na]+	366.088278	184.1
[M-H]-	342.091784	183.3
[M+NH4]+	361.132883	189.1
[M+K]+	382.062218	177.9
[M+H-H2O]+	326.096320	168.4
[M+HCOO]-	388.097261	193.3
[M+CH3COO]-	402.112911	207.1
[M+Na-2H]-	364.073726	177.5
[M]+	343.09851142	177.9
[M]-	343.09960858	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe