CID 63635

4(1h)-quinazolinone, 2,3-dihydro-3-(p-bromophenyl)-1-(3-piperidinopropionyl)-

Structural Information

Molecular Formula
C22H24BrN3O2
SMILES
C1CCN(CC1)CCC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H24BrN3O2/c23-17-8-10-18(11-9-17)25-16-26(20-7-3-2-6-19(20)22(25)28)21(27)12-15-24-13-4-1-5-14-24/h2-3,6-11H,1,4-5,12-16H2
InChIKey
VDFJNFQKSPLEPE-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(3-piperidin-1-ylpropanoyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.11248 196.5
[M+Na]+ 464.09442 200.6
[M+NH4]+ 459.13902 199.9
[M+K]+ 480.06836 198.6
[M-H]- 440.09792 199.3
[M+Na-2H]- 462.07987 199.5
[M]+ 441.10465 196.6
[M]- 441.10575 196.6
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.