CID 3069714

85063-18-9

Structural Information

Molecular Formula
C22H23N3O4
SMILES
CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N4CCOCC4
InChI
InChI=1S/C22H23N3O4/c1-16-6-2-5-9-19(16)29-15-20-23-18-8-4-3-7-17(18)22(27)25(20)14-21(26)24-10-12-28-13-11-24/h2-9H,10-15H2,1H3
InChIKey
FKVBBGBZGODPED-UHFFFAOYSA-N
Compound name
2-[(2-methylphenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.16885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17613 194.6
[M+Na]+ 416.15807 210.0
[M+NH4]+ 411.20267 200.5
[M+K]+ 432.13201 202.6
[M-H]- 392.16157 200.3
[M+Na-2H]- 414.14352 201.7
[M]+ 393.16830 198.4
[M]- 393.16940 198.4
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

No patent data available for this compound.