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

3
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

literature stripe

Patent stripe

patents stripe