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]+ 425.197176 206.7
[M+Na]+ 447.179118 211.9
[M-H]- 423.182624 213.3
[M+NH4]+ 442.223723 210.1
[M+K]+ 463.153058 203.3
[M+H-H2O]+ 407.187160 191.2
[M+HCOO]- 469.188101 218.2
[M+CH3COO]- 483.203751 212.6
[M+Na-2H]- 445.164566 208.8
[M]+ 424.18935142 202.2
[M]- 424.19044858 202.2
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.