Metabolite 3-hydroxyguanfacine

Name

3-hydroxyguanfacine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 262.09
Monoisotopic: 261.0071819

Chemical Formula

C₉H₉Cl₂N₃O₂

InChI Key

WJJWHWYOPUIOBR-UHFFFAOYSA-N

InChI

InChI=1S/C9H9Cl2N3O2/c10-5-1-2-6(15)8(11)4(5)3-7(16)14-9(12)13/h1-2,15H,3H2,(H4,12,13,14,16)

IUPAC Name

N-carbamimidoyl-2-(2,6-dichloro-3-hydroxyphenyl)acetamide

SMILES

NC(=N)NC(=O)CC1=C(Cl)C=CC(O)=C1Cl

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-4090000000-dab81d00173de3f76989
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01ox-9000000000-841b90635693621dc1e4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-899c0cfe167046bcb4ff
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9600000000-7580f68c4525934b25cf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-006x-9400000000-c65fc61b2c3dee16cabf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9210000000-85d4cdabff1946599fa6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	153.20403	predicted	DeepCCS 1.0 (2019)
[M+H]+	155.56203	predicted	DeepCCS 1.0 (2019)
[M+Na]+	161.69577	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties