CID 3053891

Brn 0867441

Structural Information

Molecular Formula
C28H28N4O2
SMILES
CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C28H28N4O2/c1-30-16-18-31(19-17-30)28(34)25(20-21-10-4-2-5-11-21)32-26(22-12-6-3-7-13-22)29-24-15-9-8-14-23(24)27(32)33/h2-15,25H,16-20H2,1H3
InChIKey
GBHUQLIVXXAKSC-UHFFFAOYSA-N
Compound name
3-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.22122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.22850 212.1
[M+Na]+ 475.21044 229.0
[M+NH4]+ 470.25504 218.4
[M+K]+ 491.18438 219.6
[M-H]- 451.21394 219.0
[M+Na-2H]- 473.19589 222.3
[M]+ 452.22067 216.6
[M]- 452.22177 216.6
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.