CID 128814

Ragaglitazar [inn]

Structural Information

Molecular Formula
C25H25NO5
SMILES
CCO[C@H](CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)C(=O)O
InChI
InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m1/s1
InChIKey
WMUIIGVAWPWQAW-XMMPIXPASA-N
Compound name
(2R)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

42
References

2863
Patents

419.17328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.18056 201.7
[M+Na]+ 442.16250 215.9
[M+NH4]+ 437.20710 208.2
[M+K]+ 458.13644 208.3
[M-H]- 418.16600 206.7
[M+Na-2H]- 440.14795 207.0
[M]+ 419.17273 205.2
[M]- 419.17383 205.2
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