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]+ 515.24418 228.7
[M+Na]+ 537.22612 231.1
[M-H]- 513.22962 237.0
[M+NH4]+ 532.27072 227.2
[M+K]+ 553.20006 221.5
[M+H-H2O]+ 497.23416 211.1
[M+HCOO]- 559.23510 237.4
[M+CH3COO]- 573.25075 231.9
[M+Na-2H]- 535.21157 228.5
[M]+ 514.23635 222.5
[M]- 514.23745 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.