Metabolite 4-Hydroxyclonidine

Name

4-Hydroxyclonidine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

EQF32CAD7U

CAS number

Not Available

Weight

Average: 246.093
Monoisotopic: 245.012267339

Chemical Formula

C₉H₉Cl₂N₃O

InChI Key

NTWBRPXHGAXREI-UHFFFAOYSA-N

InChI

InChI=1S/C9H9Cl2N3O/c10-6-3-5(15)4-7(11)8(6)14-9-12-1-2-13-9/h3-4,15H,1-2H2,(H2,12,13,14)

IUPAC Name

3,5-dichloro-4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenol

SMILES

OC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00mk-5940000000-4be06ca4ce026e4fa2c2
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-402adf54de55e408df69
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0090000000-09e39793c6b237182698
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-2390000000-15f96c95198845115884
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-d885f9518b4e0e121af7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9000000000-79df865089d79824e8c4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-4930000000-2198ae8deeba83e6033b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	147.1936162	predicted	DarkChem Lite v0.1.0
[M-H]-	144.3433	predicted	DeepCCS 1.0 (2019)
[M+H]+	147.9988162	predicted	DarkChem Lite v0.1.0
[M+H]+	146.70134	predicted	DeepCCS 1.0 (2019)
[M+Na]+	147.1271162	predicted	DarkChem Lite v0.1.0
[M+Na]+	153.4191	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties