CID 169502180

Fluvastatin-glucuronide

Structural Information

Molecular Formula
C30H34FNO10
SMILES
CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)OC3[C@@H](C([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C30H34FNO10/c1-15(2)32-21-6-4-3-5-20(21)24(16-7-9-17(31)10-8-16)22(32)12-11-18(33)13-19(34)14-23(35)41-30-27(38)25(36)26(37)28(42-30)29(39)40/h3-12,15,18-19,25-28,30,33-34,36-38H,13-14H2,1-2H3,(H,39,40)/b12-11+/t18-,19-,25?,26+,27-,28+,30?/m1/s1
InChIKey
VHVURYGKEFOIMA-YSTHPCFPSA-N
Compound name
(2S,3S,5R)-6-[(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

587.2167 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.22398 235.2
[M+Na]+ 610.20592 235.9
[M-H]- 586.20942 236.0
[M+NH4]+ 605.25052 233.5
[M+K]+ 626.17986 234.9
[M+H-H2O]+ 570.21396 226.2
[M+HCOO]- 632.21490 237.4
[M+CH3COO]- 646.23055 251.4
[M+Na-2H]- 608.19137 224.6
[M]+ 587.21615 235.6
[M]- 587.21725 235.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.