CID 169502281

5-hydroxyfluvastatin-sulfate

Structural Information

Molecular Formula
C24H26FNO8S
SMILES
CC(C)N1C2=C(C=C(C=C2)OS(=O)(=O)O)C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H26FNO8S/c1-14(2)26-21-10-8-19(34-35(31,32)33)13-20(21)24(15-3-5-16(25)6-4-15)22(26)9-7-17(27)11-18(28)12-23(29)30/h3-10,13-14,17-18,27-28H,11-12H2,1-2H3,(H,29,30)(H,31,32,33)/b9-7+/t17-,18-/m1/s1
InChIKey
ZPLGLCLYKVHQAF-VGSQKHLPSA-N
Compound name
(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-yl-5-sulfooxyindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.13632 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.14360 216.0
[M+Na]+ 530.12554 222.4
[M+NH4]+ 525.17014 216.5
[M+K]+ 546.09948 221.3
[M-H]- 506.12904 211.8
[M+Na-2H]- 528.11099 215.4
[M]+ 507.13577 215.5
[M]- 507.13687 215.5
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.