PubChemLite - Carvedilol (C24H26N2O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O

InChI

InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3

InChIKey

OGHNVEJMJSYVRP-UHFFFAOYSA-N

Compound name

1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

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]+	407.19655	199.6
[M+Na]+	429.17849	212.4
[M+NH4]+	424.22309	206.3
[M+K]+	445.15243	206.1
[M-H]-	405.18199	203.4
[M+Na-2H]-	427.16394	205.5
[M]+	406.18872	202.4
[M]-	406.18982	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.19655

199.6

[M+Na]+

429.17849

212.4

[M+NH4]+

424.22309

206.3

[M+K]+

445.15243

206.1

[M-H]-

405.18199

203.4

[M+Na-2H]-

427.16394

205.5

[M]+

406.18872

202.4

[M]-

406.18982

202.4

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

Carvedilol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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