CID 128216

7'-hydroxy doxazosin

Structural Information

Molecular Formula
C23H25N5O6
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=C(O4)C=CC(=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)20-12-33-19-9-13(29)3-4-16(19)34-20/h3-4,9-11,20,29H,5-8,12H2,1-2H3,(H2,24,25,26)
InChIKey
UQIVDURXFIFFOY-UHFFFAOYSA-N
Compound name
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

467.18048 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.