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 196.0
[M+Na]+ 416.15807 202.0
[M-H]- 392.16157 202.2
[M+NH4]+ 411.20267 201.6
[M+K]+ 432.13201 197.7
[M+H-H2O]+ 376.16611 182.9
[M+HCOO]- 438.16705 208.9
[M+CH3COO]- 452.18270 203.7
[M+Na-2H]- 414.14352 198.4
[M]+ 393.16830 196.2
[M]- 393.16940 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.