Metabolite 6-O-demethyl terazosin

Name

6-O-demethyl terazosin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

3O886C86WZ

CAS number

Not Available

Weight

Average: 373.413
Monoisotopic: 373.175004241

Chemical Formula

C₁₈H₂₃N₅O₄

InChI Key

ILQALIJJROIUDL-UHFFFAOYSA-N

InChI

InChI=1S/C18H23N5O4/c1-26-15-10-12-11(9-13(15)24)16(19)21-18(20-12)23-6-4-22(5-7-23)17(25)14-3-2-8-27-14/h9-10,14,24H,2-8H2,1H3,(H2,19,20,21)

IUPAC Name

4-amino-7-methoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-6-ol

SMILES

[H]OC1=C(OC)C=C2N=C(N=C(N)C2=C1)N1CCN(CC1)C(=O)C1CCCO1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0009000000-0157b068f1b0a64869df
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0009000000-a77cab83b14e7057f4e1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0049000000-4df030bbdf74cd38ab61
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0009000000-3b8822619730bff5ded1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0bt9-2198000000-20118078645812a742d1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a59-0289000000-b6057345a0b0a35a0c7c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	183.54205	predicted	DeepCCS 1.0 (2019)
[M+H]+	185.90004	predicted	DeepCCS 1.0 (2019)
[M+Na]+	192.8897	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties