CID 4893

Prazosin

Structural Information

Molecular Formula
C19H21N5O4
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC
InChI
InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
InChIKey
IENZQIKPVFGBNW-UHFFFAOYSA-N
Compound name
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

9082
References

51491
Patents

383.15936 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16664 191.2
[M+Na]+ 406.14858 199.2
[M-H]- 382.15208 197.4
[M+NH4]+ 401.19318 197.9
[M+K]+ 422.12252 195.5
[M+H-H2O]+ 366.15662 179.5
[M+HCOO]- 428.15756 206.6
[M+CH3COO]- 442.17321 200.0
[M+Na-2H]- 404.13403 192.4
[M]+ 383.15881 193.1
[M]- 383.15991 193.1
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.