CID 154000

Reglitazar

Structural Information

Molecular Formula
C22H20N2O5
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC4C(=O)NOC4=O
InChI
InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,18H,11-13H2,1H3,(H,24,25)
InChIKey
QBQLYIISSRXYKL-UHFFFAOYSA-N
Compound name
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,2-oxazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

7153
Patents

392.1372 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.144476 191.3
[M+Na]+ 415.126418 198.8
[M-H]- 391.129924 202.3
[M+NH4]+ 410.171023 199.5
[M+K]+ 431.100358 195.7
[M+H-H2O]+ 375.134460 182.2
[M+HCOO]- 437.135401 209.5
[M+CH3COO]- 451.151051 201.4
[M+Na-2H]- 413.111866 189.2
[M]+ 392.13665142 194.7
[M]- 392.13774858 194.7
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