CID 3053884

Brn 0868245

Structural Information

Molecular Formula
C29H30N4O2
SMILES
CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C29H30N4O2/c1-21(2)26(29(35)32-19-17-31(18-20-32)23-13-7-4-8-14-23)33-27(22-11-5-3-6-12-22)30-25-16-10-9-15-24(25)28(33)34/h3-16,21,26H,17-20H2,1-2H3
InChIKey
VESNPJALTHAYCM-UHFFFAOYSA-N
Compound name
3-[3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.23688 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.24416 214.8
[M+Na]+ 489.22610 231.1
[M+NH4]+ 484.27070 220.8
[M+K]+ 505.20004 222.4
[M-H]- 465.22960 221.5
[M+Na-2H]- 487.21155 224.5
[M]+ 466.23633 219.1
[M]- 466.23743 219.1
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.