CID 60870

Darglitazone

Structural Information

Molecular Formula
C23H20N2O4S
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CCC(=O)C3=CC=C(C=C3)CC4C(=O)NC(=O)S4
InChI
InChI=1S/C23H20N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,20H,11-13H2,1H3,(H,25,27,28)
InChIKey
QQKNSPHAFATFNQ-UHFFFAOYSA-N
Compound name
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

9465
Patents

420.11438 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12166 199.6
[M+Na]+ 443.10360 212.2
[M+NH4]+ 438.14820 205.4
[M+K]+ 459.07754 207.6
[M-H]- 419.10710 205.7
[M+Na-2H]- 441.08905 205.6
[M]+ 420.11383 203.4
[M]- 420.11493 203.4
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