Metabolite 4- Hydroxytacrine

Name

4- Hydroxytacrine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

6FP9C7ZG3K

CAS number

Not Available

Weight

Average: 214.268
Monoisotopic: 214.110613079

Chemical Formula

C₁₃H₁₄N₂O

InChI Key

BISIFJGUTDFVFR-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)

IUPAC Name

9-amino-1,2,3,4-tetrahydroacridin-4-ol

SMILES

[H]N([H])C1=C2C(=NC3=C1C([H])=C([H])C([H])=C3[H])C([H])(O)C([H])([H])C([H])([H])C2([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kb-0940000000-5848e1338a290fe11c04
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03dj-0890000000-3ae62c5d2851d7dee4ed
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0930000000-03463b6a612752f56540
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01ot-0960000000-b47f8ad8d107acc0fd2a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-007k-1900000000-9cb32b9336efbdcf1e58
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-1900000000-55a1236d8c2a5ee54ee0

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	155.00484	predicted	DeepCCS 1.0 (2019)
[M+H]+	157.08852	predicted	DeepCCS 1.0 (2019)
[M+Na]+	163.00104	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties