CID 135525080

199327-75-8

Structural Information

Molecular Formula
C16H21N3O3
SMILES
COC1=C(C=C2C(=C1)C(=O)NC=N2)OCCCN3CCCC3
InChI
InChI=1S/C16H21N3O3/c1-21-14-9-12-13(17-11-18-16(12)20)10-15(14)22-8-4-7-19-5-2-3-6-19/h9-11H,2-8H2,1H3,(H,17,18,20)
InChIKey
AOKBXCYRXJZEGX-UHFFFAOYSA-N
Compound name
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

303.1583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.165576 170.8
[M+Na]+ 326.147518 178.0
[M-H]- 302.151024 172.7
[M+NH4]+ 321.192123 183.7
[M+K]+ 342.121458 173.2
[M+H-H2O]+ 286.155560 161.1
[M+HCOO]- 348.156501 187.4
[M+CH3COO]- 362.172151 200.8
[M+Na-2H]- 324.132966 173.4
[M]+ 303.15775142 171.6
[M]- 303.15884858 171.6
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

patents stripe