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

73
Patents

303.1583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 172.0
[M+Na]+ 326.14752 184.1
[M+NH4]+ 321.19212 178.3
[M+K]+ 342.12146 179.3
[M-H]- 302.15102 173.2
[M+Na-2H]- 324.13297 176.6
[M]+ 303.15775 173.8
[M]- 303.15885 173.8
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