Metabolite 4-Hydroxyminaprine

Name

4-Hydroxyminaprine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

7ET381H9UA

CAS number

Not Available

Weight

Average: 314.389
Monoisotopic: 314.174275964

Chemical Formula

C₁₇H₂₂N₄O₂

InChI Key

ADRHYFBXMFKHDO-UHFFFAOYSA-N

InChI

InChI=1S/C17H22N4O2/c1-13-12-16(14-2-4-15(22)5-3-14)19-20-17(13)18-6-7-21-8-10-23-11-9-21/h2-5,12,22H,6-11H2,1H3,(H,18,20)

IUPAC Name

4-(5-methyl-6-{[2-(morpholin-4-yl)ethyl]amino}pyridazin-3-yl)phenol

SMILES

[H]N(C1=C(C([H])=C(N=N1)C1=C([H])C([H])=C(O)C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0019000000-1284b8e7e39602604467
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0029000000-0fcdef982d49df8959b8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-02u1-0293000000-e0672c73d6cfe501b8da
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0392000000-255599de1cec448864bd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00b9-4290000000-c3ca6f4f013db7298543
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01p7-2690000000-383289de729adc5e5fcf

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	175.0106	predicted	DeepCCS 1.0 (2019)
[M+H]+	176.8207	predicted	DeepCCS 1.0 (2019)
[M+Na]+	182.98033	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties