CID 204109

Netoglitazone

Structural Information

Molecular Formula
C21H16FNO3S
SMILES
C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C=C(C=C3)CC4C(=O)NC(=O)S4)F
InChI
InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)
InChIKey
PKWDZWYVIHVNKS-UHFFFAOYSA-N
Compound name
5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

12008
Patents

381.0835 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09078 187.7
[M+Na]+ 404.07272 196.6
[M-H]- 380.07622 194.8
[M+NH4]+ 399.11732 200.8
[M+K]+ 420.04666 189.1
[M+H-H2O]+ 364.08076 178.7
[M+HCOO]- 426.08170 201.1
[M+CH3COO]- 440.09735 197.5
[M+Na-2H]- 402.05817 186.1
[M]+ 381.08295 188.5
[M]- 381.08405 188.5
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