CID 9889200

Balaglitazone

Structural Information

Molecular Formula
C20H17N3O4S
SMILES
CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
InChI
InChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)
InChIKey
IETKPTYAGKZLKY-UHFFFAOYSA-N
Compound name
5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

6591
Patents

395.09396 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10124 192.6
[M+Na]+ 418.08318 202.6
[M-H]- 394.08668 198.8
[M+NH4]+ 413.12778 202.4
[M+K]+ 434.05712 195.4
[M+H-H2O]+ 378.09122 183.3
[M+HCOO]- 440.09216 204.9
[M+CH3COO]- 454.10781 201.8
[M+Na-2H]- 416.06863 191.2
[M]+ 395.09341 195.9
[M]- 395.09451 195.9
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