CID 45039442

6-hydroxy doxazosin

Structural Information

Molecular Formula
C22H23N5O5
SMILES
COC1=C(C=C2C(=C1)N=C(N=C2N)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)O
InChI
InChI=1S/C22H23N5O5/c1-30-18-11-14-13(10-15(18)28)20(23)25-22(24-14)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
DSVHRYIETHRCFI-UHFFFAOYSA-N
Compound name
[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.16992 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.