CID 135399673

7-methoxy-6-(3-morpholin-4-yl-propoxy)-3h-quinazolin-4-one

Structural Information

Molecular Formula
C16H21N3O4
SMILES
COC1=C(C=C2C(=C1)N=CNC2=O)OCCCN3CCOCC3
InChI
InChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20)
InChIKey
WFUBWLXSYCFZEH-UHFFFAOYSA-N
Compound name
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

140
Patents

319.1532 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16048 174.9
[M+Na]+ 342.14242 181.1
[M-H]- 318.14592 176.8
[M+NH4]+ 337.18702 183.6
[M+K]+ 358.11636 177.8
[M+H-H2O]+ 302.15046 164.0
[M+HCOO]- 364.15140 188.3
[M+CH3COO]- 378.16705 203.8
[M+Na-2H]- 340.12787 179.9
[M]+ 319.15265 175.3
[M]- 319.15375 175.3
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

patents stripe