Metabolite 8-Hydroxycarbazolylcarvedilol

Name

8-Hydroxycarbazolylcarvedilol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

8M5A8KY0RQ

CAS number

Not Available

Weight

Average: 422.4736
Monoisotopic: 422.184171952

Chemical Formula

C₂₄H₂₆N₂O₅

InChI Key

GPPVNZVFGNMPNR-UHFFFAOYSA-N

InChI

InChI=1S/C24H26N2O5/c1-29-20-9-2-3-10-21(20)30-13-12-25-14-16(27)15-31-22-11-5-7-18-23(22)17-6-4-8-19(28)24(17)26-18/h2-11,16,25-28H,12-15H2,1H3

IUPAC Name

5-(2-hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy)-9H-carbazol-1-ol

SMILES

COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=C(N2)C(O)=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-03dm-3980000000-db38aab7af7190140019
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fdk-0093600000-b12e87c4054d6d8a7a8f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-1920100000-8c7a2e73ae35bc5bfcef
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uea-0591200000-bbbb20c214015f176014
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0910000000-927d5ed60a81eff3d6ea
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000t-0900000000-3ef9654c1d9ca0710788
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-3952000000-9bbd3a539715573d162b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	215.291993	predicted	DarkChem Lite v0.1.0
[M-H]-	186.19563	predicted	DeepCCS 1.0 (2019)
[M+H]+	215.699093	predicted	DarkChem Lite v0.1.0
[M+H]+	188.55363	predicted	DeepCCS 1.0 (2019)
[M+Na]+	215.414593	predicted	DarkChem Lite v0.1.0
[M+Na]+	196.03755	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties