PubChemLite - Nebivolol (C22H25F2NO4)

Structural Information

Molecular Formula

SMILES

C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O

InChI

InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2

InChIKey

KOHIRBRYDXPAMZ-UHFFFAOYSA-N

Compound name

1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol

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]+	406.18245	198.6
[M+Na]+	428.16439	207.8
[M+NH4]+	423.20899	204.2
[M+K]+	444.13833	202.0
[M-H]-	404.16789	202.1
[M+Na-2H]-	426.14984	199.4
[M]+	405.17462	200.6
[M]-	405.17572	200.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.18245

198.6

[M+Na]+

428.16439

207.8

[M+NH4]+

423.20899

204.2

[M+K]+

444.13833

202.0

[M-H]-

404.16789

202.1

[M+Na-2H]-

426.14984

199.4

[M]+

405.17462

200.6

[M]-

405.17572

200.6

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

Nebivolol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe