Metabolite Hydroxyethylflurazepam

Name

Hydroxyethylflurazepam

Description

Not Available

Structure

Similar Structures

Synonyms

Hydroxyethyl flurazepam

UNII

Not Available

CAS number

67263-28-9

Weight

Average: 403.88
Monoisotopic: 403.1462829

Chemical Formula

C₂₁H₂₃ClFN₃O₂

InChI Key

IRYBKIZHCXMFFO-UHFFFAOYSA-N

InChI

InChI=1S/C21H23ClFN3O2/c1-2-25(11-12-27)9-10-26-19-8-7-15(22)13-17(19)21(24-14-20(26)28)16-5-3-4-6-18(16)23/h3-8,13,27H,2,9-12,14H2,1H3

IUPAC Name

7-chloro-1-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

SMILES

CCN(CCO)CCN1C2=CC=C(Cl)C=C2C(=NCC1=O)C1=CC=CC=C1F

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-1102900000-8fc57528e920f9bf8d68
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0069200000-b45998db963bf039a9c6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0009000000-9ff5e663eee4ad861964
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-006t-0094000000-1b3a0dd1abceeed88067
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udr-1019100000-552c045ac47e1e6dd9a6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fsl-7297000000-046ce2a16d1e020918d5

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.7264	predicted	DeepCCS 1.0 (2019)
[M+H]+	190.0844	predicted	DeepCCS 1.0 (2019)
[M+Na]+	197.44035	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties