PubChemLite - Fluvastatin (C24H26FNO4)

Structural Information

Molecular Formula

SMILES

CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1

InChIKey

FJLGEFLZQAZZCD-JUFISIKESA-N

Compound name

(E,3S,5R)-7-[3-(4-fluorophenyl)-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]+	412.19188	200.0
[M+Na]+	434.17382	205.4
[M-H]-	410.17732	201.2
[M+NH4]+	429.21842	209.7
[M+K]+	450.14776	199.4
[M+H-H2O]+	394.18186	191.3
[M+HCOO]-	456.18280	213.0
[M+CH3COO]-	470.19845	221.5
[M+Na-2H]-	432.15927	195.0
[M]+	411.18405	200.8
[M]-	411.18515	200.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

412.19188

200.0

[M+Na]+

434.17382

205.4

[M-H]-

410.17732

201.2

[M+NH4]+

429.21842

209.7

[M+K]+

450.14776

199.4

[M+H-H2O]+

394.18186

191.3

[M+HCOO]-

456.18280

213.0

[M+CH3COO]-

470.19845

221.5

[M+Na-2H]-

432.15927

195.0

[M]+

411.18405

200.8

[M]-

411.18515

200.8

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

Fluvastatin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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