CID 44448487

Muraglitazar metabolite m1

Structural Information

Molecular Formula
C17H17NO6
SMILES
COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)O)CC(=O)O
InChI
InChI=1S/C17H17NO6/c1-23-14-6-8-15(9-7-14)24-17(22)18(11-16(20)21)10-12-2-4-13(19)5-3-12/h2-9,19H,10-11H2,1H3,(H,20,21)
InChIKey
GQHGGKPOZFTGOJ-UHFFFAOYSA-N
Compound name
2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1056 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11288 174.9
[M+Na]+ 354.09482 185.2
[M+NH4]+ 349.13942 179.7
[M+K]+ 370.06876 181.4
[M-H]- 330.09832 176.5
[M+Na-2H]- 352.08027 180.4
[M]+ 331.10505 176.4
[M]- 331.10615 176.4
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

No patent data available for this compound.