CID 10068721

Carboxy pioglitazone (m-v)

Structural Information

Molecular Formula
C19H18N2O5S
SMILES
C1=CC(=CC=C1CC2C(=O)NC(=O)S2)OCCC3=NC=C(C=C3)CC(=O)O
InChI
InChI=1S/C19H18N2O5S/c22-17(23)10-13-1-4-14(20-11-13)7-8-26-15-5-2-12(3-6-15)9-16-18(24)21-19(25)27-16/h1-6,11,16H,7-10H2,(H,22,23)(H,21,24,25)
InChIKey
OIQJTMMAMWFMQR-UHFFFAOYSA-N
Compound name
2-[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

386.09363 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10091 190.0
[M+Na]+ 409.08285 200.6
[M+NH4]+ 404.12745 194.6
[M+K]+ 425.05679 195.2
[M-H]- 385.08635 191.7
[M+Na-2H]- 407.06830 194.4
[M]+ 386.09308 192.0
[M]- 386.09418 192.0
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