PubChemLite - 5-hydroxyfluvastatin (C24H26FNO5)

Structural Information

Molecular Formula

SMILES

CC(C)N1C2=C(C=C(C=C2)O)C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FNO5/c1-14(2)26-21-9-7-18(28)12-20(21)24(15-3-5-16(25)6-4-15)22(26)10-8-17(27)11-19(29)13-23(30)31/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31)/b10-8+/t17-,19-/m0/s1

InChIKey

YCXJQQVRCVXLTP-CLFQVBOOSA-N

Compound name

(E,3S,5R)-7-[3-(4-fluorophenyl)-5-hydroxy-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	428.18678	204.5
[M+Na]+	450.16872	213.6
[M+NH4]+	445.21332	207.3
[M+K]+	466.14266	211.5
[M-H]-	426.17222	202.7
[M+Na-2H]-	448.15417	205.1
[M]+	427.17895	204.7
[M]-	427.18005	204.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.18678

204.5

[M+Na]+

450.16872

213.6

[M+NH4]+

445.21332

207.3

[M+K]+

466.14266

211.5

[M-H]-

426.17222

202.7

[M+Na-2H]-

448.15417

205.1

[M]+

427.17895

204.7

[M]-

427.18005

204.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-hydroxyfluvastatin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe