Metabolite 10-hydroxycarbazepine sulfate

Name

10-hydroxycarbazepine sulfate

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

VD6A0P3LLM

CAS number

Not Available

Weight

Average: 334.35
Monoisotopic: 334.062342733

Chemical Formula

C₁₅H₁₄N₂O₅S

InChI Key

DQCMJSSQBFEDHL-UHFFFAOYSA-N

InChI

InChI=1S/C15H14N2O5S/c16-15(18)17-12-7-3-1-5-10(12)9-14(22-23(19,20)21)11-6-2-4-8-13(11)17/h1-8,14H,9H2,(H2,16,18)(H,19,20,21)

IUPAC Name

{2-carbamoyl-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-9-yl}oxidanesulfonic acid

SMILES

NC(=O)N1C2=CC=CC=C2CC(OS(O)(=O)=O)C2=CC=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0089000000-c51ba5a89513b0773046
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9011000000-27ef755e61d51a1f0ebd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03dl-0390000000-5046091922d9e48044bc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0007-9000000000-a023f2bb1f07f9bc6852
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-a7fdb88f0779e9c10b41
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0940000000-7825e399dbae64201217

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	169.76839	predicted	DeepCCS 1.0 (2019)
[M+H]+	172.12637	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.64757	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties