PubChemLite - 7-hydroxy doxazosin (C22H23N5O5)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)O

InChI

InChI=1S/C22H23N5O5/c1-30-18-10-13-14(11-15(18)28)24-22(25-20(13)23)27-8-6-26(7-9-27)21(29)19-12-31-16-4-2-3-5-17(16)32-19/h2-5,10-11,19,28H,6-9,12H2,1H3,(H2,23,24,25)

InChIKey

ZHZCTAZQVCTFFH-UHFFFAOYSA-N

Compound name

[4-(4-amino-7-hydroxy-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(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]+	438.17720	207.2
[M+Na]+	460.15914	220.8
[M+NH4]+	455.20374	211.9
[M+K]+	476.13308	215.8
[M-H]-	436.16264	213.7
[M+Na-2H]-	458.14459	210.3
[M]+	437.16937	210.8
[M]-	437.17047	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.17720

207.2

[M+Na]+

460.15914

220.8

[M+NH4]+

455.20374

211.9

[M+K]+

476.13308

215.8

[M-H]-

436.16264

213.7

[M+Na-2H]-

458.14459

210.3

[M]+

437.16937

210.8

[M]-

437.17047

210.8

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

7-hydroxy doxazosin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe