CID 2092

Alfuzosin

Structural Information

Molecular Formula
C19H27N5O4
SMILES
CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
InChIKey
WNMJYKCGWZFFKR-UHFFFAOYSA-N
Compound name
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

598
References

10447
Patents

389.2063 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.213576 193.1
[M+Na]+ 412.195518 197.2
[M-H]- 388.199024 199.3
[M+NH4]+ 407.240123 202.6
[M+K]+ 428.169458 196.4
[M+H-H2O]+ 372.203560 182.8
[M+HCOO]- 434.204501 212.7
[M+CH3COO]- 448.220151 231.5
[M+Na-2H]- 410.180966 194.1
[M]+ 389.20575142 196.2
[M]- 389.20684858 196.2
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