Metabolite 12-OH-nevirapine

Name

12-OH-nevirapine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 296.33
Monoisotopic: 296.127325771

Chemical Formula

C₁₆H₁₆N₄O₂

InChI Key

YCSZLSPYGSAXJE-UHFFFAOYSA-N

InChI

InChI=1S/C16H16N4O2/c21-9-6-10-5-8-18-15-13(10)19-16(22)12-2-1-7-17-14(12)20(15)11-3-4-11/h1-2,5,7-8,11,21H,3-4,6,9H2,(H,19,22)

IUPAC Name

2-cyclopropyl-7-(2-hydroxyethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

SMILES

[H]N1C2=C(C([H])=C([H])N=C2N(C2=C(C([H])=C([H])C([H])=N2)C1=O)C1([H])C([H])([H])C1([H])[H])C([H])([H])CO

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-548d5ba916794e3e4493
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-9475d615ec7c08730265
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-967676fc552e423522f1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kb-0090000000-392e779530f9803d5c06
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0190000000-0fa068dd0a2484908f45
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-06tr-1490000000-b0383728deed12bc0219

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	170.67912	predicted	DeepCCS 1.0 (2019)
[M+H]+	172.83849	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.62727	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties