CID 3053889

Brn 0864958

Structural Information

Molecular Formula
C28H27N3O2
SMILES
C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C28H27N3O2/c32-27-23-16-8-9-17-24(23)29-26(22-14-6-2-7-15-22)31(27)25(20-21-12-4-1-5-13-21)28(33)30-18-10-3-11-19-30/h1-2,4-9,12-17,25H,3,10-11,18-20H2
InChIKey
NFZKKCBZFDHHGN-UHFFFAOYSA-N
Compound name
3-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.21033 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.21761 208.8
[M+Na]+ 460.19955 211.8
[M-H]- 436.20305 216.0
[M+NH4]+ 455.24415 212.6
[M+K]+ 476.17349 203.8
[M+H-H2O]+ 420.20759 193.8
[M+HCOO]- 482.20853 220.0
[M+CH3COO]- 496.22418 214.2
[M+Na-2H]- 458.18500 209.6
[M]+ 437.20978 203.4
[M]- 437.21088 203.4
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.