CID 63516

73283-17-7

Structural Information

Molecular Formula
C26H24N2O5
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C26H24N2O5/c1-16-9-5-8-12-20(16)28-24(27-19-11-7-6-10-18(19)26(28)30)15-21(29)17-13-22(31-2)25(33-4)23(14-17)32-3/h5-14H,15H2,1-4H3
InChIKey
PURDMFVIWSWMME-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

444.16852 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17580 209.8
[M+Na]+ 467.15774 218.8
[M-H]- 443.16124 218.3
[M+NH4]+ 462.20234 216.7
[M+K]+ 483.13168 213.9
[M+H-H2O]+ 427.16578 197.0
[M+HCOO]- 489.16672 227.8
[M+CH3COO]- 503.18237 235.1
[M+Na-2H]- 465.14319 210.6
[M]+ 444.16797 217.0
[M]- 444.16907 217.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe