Metabolite 7-O-demethyl terazosin

Name

7-O-demethyl terazosin

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

0WF0NM23D2

CAS number

Not Available

Weight

Average: 373.413
Monoisotopic: 373.175004241

Chemical Formula

C₁₈H₂₃N₅O₄

InChI Key

SGNJMTXWORLPPM-UHFFFAOYSA-N

InChI

InChI=1S/C18H23N5O4/c1-26-15-9-11-12(10-13(15)24)20-18(21-16(11)19)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-6-methoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-7-ol

SMILES

[H]OC1=C(OC)C=C2C(N)=NC(=NC2=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-0009000000-7c1a1dda749662e4cfe9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0009000000-9906408ddc9e6e0b83d8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0009000000-cc12b92325167acbac23
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0029000000-bcecd3686bdaad08067b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a7i-1097000000-ae8cb27d0004947a7fbd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0369000000-967ce8fe1df1f317c4ec

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	181.58118	predicted	DeepCCS 1.0 (2019)
[M+H]+	183.93918	predicted	DeepCCS 1.0 (2019)
[M+Na]+	190.9116	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties