PubChemLite - 6-hydroxyfluvastatin (C24H26FNO5)

Structural Information

Molecular Formula

SMILES

CC(C)N1C2=C(C=CC(=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(10-8-17(27)11-19(29)13-23(30)31)24(15-3-5-16(25)6-4-15)20-9-7-18(28)12-22(20)26/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31)/b10-8+/t17-,19-/m0/s1

InChIKey

WSYBZSUCJJHTIP-CLFQVBOOSA-N

Compound name

(E,3S,5R)-7-[3-(4-fluorophenyl)-6-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	202.4
[M+Na]+	450.16872	207.9
[M-H]-	426.17222	202.6
[M+NH4]+	445.21332	210.9
[M+K]+	466.14266	202.3
[M+H-H2O]+	410.17676	194.1
[M+HCOO]-	472.17770	214.0
[M+CH3COO]-	486.19335	223.1
[M+Na-2H]-	448.15417	196.5
[M]+	427.17895	203.3
[M]-	427.18005	203.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.18678

202.4

[M+Na]+

450.16872

207.9

[M-H]-

426.17222

202.6

[M+NH4]+

445.21332

210.9

[M+K]+

466.14266

202.3

[M+H-H2O]+

410.17676

194.1

[M+HCOO]-

472.17770

214.0

[M+CH3COO]-

486.19335

223.1

[M+Na-2H]-

448.15417

196.5

[M]+

427.17895

203.3

[M]-

427.18005

203.3

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

6-hydroxyfluvastatin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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