PubChemLite - Glenvastatin (C27H26FNO3)

Structural Information

Molecular Formula

SMILES

CC(C)C1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)F)/C=C/[C@@H]4C[C@H](CC(=O)O4)O

InChI

InChI=1S/C27H26FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1

InChIKey

LJIZUXQINHXGAO-ITWZMISCSA-N

Compound name

(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridin-3-yl]ethenyl]-4-hydroxyoxan-2-one

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]+	432.19695	211.3
[M+Na]+	454.17889	226.5
[M+NH4]+	449.22349	217.3
[M+K]+	470.15283	217.5
[M-H]-	430.18239	218.5
[M+Na-2H]-	452.16434	218.9
[M]+	431.18912	215.6
[M]-	431.19022	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.19695

211.3

[M+Na]+

454.17889

226.5

[M+NH4]+

449.22349

217.3

[M+K]+

470.15283

217.5

[M-H]-

430.18239

218.5

[M+Na-2H]-

452.16434

218.9

[M]+

431.18912

215.6

[M]-

431.19022

215.6

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

Glenvastatin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe