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
2
Annotation Hits

5
References

4
Patents

343.09906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 177.5
[M+Na]+ 366.08828 184.1
[M-H]- 342.09178 183.3
[M+NH4]+ 361.13288 189.1
[M+K]+ 382.06222 177.9
[M+H-H2O]+ 326.09632 168.4
[M+HCOO]- 388.09726 193.3
[M+CH3COO]- 402.11291 207.1
[M+Na-2H]- 364.07373 177.5
[M]+ 343.09851 177.9
[M]- 343.09961 177.9
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

No patent data available for this compound.