PubChemLite - 6'-hydroxy doxazosin (C23H25N5O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=C(O4)C=C(C=C5)O)N)OC

InChI

InChI=1S/C23H25N5O6/c1-31-17-10-14-15(11-18(17)32-2)25-23(26-21(14)24)28-7-5-27(6-8-28)22(30)20-12-33-16-4-3-13(29)9-19(16)34-20/h3-4,9-11,20,29H,5-8,12H2,1-2H3,(H2,24,25,26)

InChIKey

CAWNIHKSMVDTKO-UHFFFAOYSA-N

Compound name

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	468.18776	215.0
[M+Na]+	490.16970	228.2
[M+NH4]+	485.21430	218.8
[M+K]+	506.14364	223.7
[M-H]-	466.17320	221.1
[M+Na-2H]-	488.15515	217.1
[M]+	467.17993	218.3
[M]-	467.18103	218.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.18776

215.0

[M+Na]+

490.16970

228.2

[M+NH4]+

485.21430

218.8

[M+K]+

506.14364

223.7

[M-H]-

466.17320

221.1

[M+Na-2H]-

488.15515

217.1

[M]+

467.17993

218.3

[M]-

467.18103

218.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

6'-hydroxy doxazosin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe