Metabolite 8-Hydroxycarteolol

Name

8-Hydroxycarteolol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 308.3728
Monoisotopic: 308.173607266

Chemical Formula

C₁₆H₂₄N₂O₄

InChI Key

TVZJLAKRXHGVOK-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N2O4/c1-16(2,3)17-8-10(19)9-22-13-6-5-12(20)15-11(13)4-7-14(21)18-15/h5-6,10,17,19-20H,4,7-9H2,1-3H3,(H,18,21)

IUPAC Name

5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinoline-2,8-diol

SMILES

CC(C)(C)NCC(O)COC1=C2CCC(O)=NC2=C(O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0569-9640000000-ff47b6a51ed8e1cd5335
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0pb9-2198000000-6b6ff00160c8ad0ac87c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0bu9-1794000000-aab6433361ab6320c9b7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-3090000000-c61012b7dda40f24decf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03dl-4900000000-0c2728edccfa8f9a291a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9300000000-17107e0c7e55e69e10b8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9640000000-fc049ca91029c45898cd

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	184.3468249	predicted	DarkChem Lite v0.1.0
[M-H]-	173.73228	predicted	DeepCCS 1.0 (2019)
[M+H]+	183.5237249	predicted	DarkChem Lite v0.1.0
[M+H]+	176.09029	predicted	DeepCCS 1.0 (2019)
[M+Na]+	183.9917249	predicted	DarkChem Lite v0.1.0
[M+Na]+	182.18343	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties