CID 3053878

Brn 0860847

Structural Information

Molecular Formula
C26H24N4O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C26H24N4O2/c31-24(29-17-15-28(16-18-29)21-11-5-2-6-12-21)19-30-25(20-9-3-1-4-10-20)27-23-14-8-7-13-22(23)26(30)32/h1-14H,15-19H2
InChIKey
ASOFIIIPZQHNIF-UHFFFAOYSA-N
Compound name
3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1899 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19718 204.9
[M+Na]+ 447.17912 222.6
[M+NH4]+ 442.22372 211.7
[M+K]+ 463.15306 212.8
[M-H]- 423.18262 212.1
[M+Na-2H]- 445.16457 215.8
[M]+ 424.18935 209.6
[M]- 424.19045 209.6
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.