CID 3076519

Morpholine, 4-(4-((4-oxo-2-phenyl-3(4h)-quinazolinyl)amino)benzoyl)-

Structural Information

Molecular Formula
C25H22N4O3
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H22N4O3/c30-24(28-14-16-32-17-15-28)19-10-12-20(13-11-19)27-29-23(18-6-2-1-3-7-18)26-22-9-5-4-8-21(22)25(29)31/h1-13,27H,14-17H2
InChIKey
VGKRIAASKIHQFK-UHFFFAOYSA-N
Compound name
3-[4-(morpholine-4-carbonyl)anilino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.1692 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17648 203.4
[M+Na]+ 449.15842 220.2
[M+NH4]+ 444.20302 209.9
[M+K]+ 465.13236 211.5
[M-H]- 425.16192 212.5
[M+Na-2H]- 447.14387 213.7
[M]+ 426.16865 208.4
[M]- 426.16975 208.4
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.