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]+ 394.176126 196.0
[M+Na]+ 416.158068 202.0
[M-H]- 392.161574 202.2
[M+NH4]+ 411.202673 201.6
[M+K]+ 432.132008 197.7
[M+H-H2O]+ 376.166110 182.9
[M+HCOO]- 438.167051 208.9
[M+CH3COO]- 452.182701 203.7
[M+Na-2H]- 414.143516 198.4
[M]+ 393.16830142 196.2
[M]- 393.16939858 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.