Metabolite p-Hydroxynordiazepam

Name

p-Hydroxynordiazepam

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

L4S7R2H85B

CAS number

Not Available

Weight

Average: 286.713
Monoisotopic: 286.050905313

Chemical Formula

C₁₅H₁₁ClN₂O₂

InChI Key

WVHIBVZUJQMFON-UHFFFAOYSA-N

InChI

InChI=1S/C15H11ClN2O2/c16-10-3-6-13-12(7-10)15(17-8-14(20)18-13)9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H,18,20)

IUPAC Name

7-chloro-5-(4-hydroxyphenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

SMILES

OC1=CC=C(C=C1)C1=NCC(=O)NC2=CC=C(Cl)C=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a4i-0190000000-ea8512774efe85a86eac
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-82fbfe72d5696670462b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-1090000000-c187df97f48775d31f50
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-7fed4b072bf8e9875e1d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-5090000000-7b1db188e4180eb86658
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0gdi-0190000000-d4a9a1dc88a10157ed4f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000x-9100000000-a233d9eb5c53122ae9bd

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	168.4745419	predicted	DarkChem Lite v0.1.0
[M-H]-	162.96217	predicted	DeepCCS 1.0 (2019)
[M+H]+	169.4642419	predicted	DarkChem Lite v0.1.0
[M+H]+	165.32019	predicted	DeepCCS 1.0 (2019)
[M+Na]+	169.1558419	predicted	DarkChem Lite v0.1.0
[M+Na]+	171.41335	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties