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

9081
References

50699
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

literature stripe

Patent stripe

patents stripe