CID 3053890

Brn 0871419

Structural Information

Molecular Formula
C33H30N4O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6
InChI
InChI=1S/C33H30N4O2/c38-32-28-18-10-11-19-29(28)34-31(26-14-6-2-7-15-26)37(32)30(24-25-12-4-1-5-13-25)33(39)36-22-20-35(21-23-36)27-16-8-3-9-17-27/h1-19,30H,20-24H2
InChIKey
QNUSSTNKDARMBS-UHFFFAOYSA-N
Compound name
3-[1-oxo-3-phenyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.2369 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.244176 228.7
[M+Na]+ 537.226118 231.1
[M-H]- 513.229624 237.0
[M+NH4]+ 532.270723 227.2
[M+K]+ 553.200058 221.5
[M+H-H2O]+ 497.234160 211.1
[M+HCOO]- 559.235101 237.4
[M+CH3COO]- 573.250751 231.9
[M+Na-2H]- 535.211566 228.5
[M]+ 514.23635142 222.5
[M]- 514.23744858 222.5
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.