CID 3053880

Piperidine, 1-(1-oxo-3-(4-oxo-2-phenyl-3(4h)-quinazolinyl)propyl)-

Structural Information

Molecular Formula
C22H23N3O2
SMILES
C1CCN(CC1)C(=O)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H23N3O2/c26-20(24-14-7-2-8-15-24)13-16-25-21(17-9-3-1-4-10-17)23-19-12-6-5-11-18(19)22(25)27/h1,3-6,9-12H,2,7-8,13-16H2
InChIKey
IGHKQIIHNBXNNE-UHFFFAOYSA-N
Compound name
3-(3-oxo-3-piperidin-1-ylpropyl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 189.0
[M+Na]+ 384.168238 194.2
[M-H]- 360.171744 194.0
[M+NH4]+ 379.212843 197.1
[M+K]+ 400.142178 187.4
[M+H-H2O]+ 344.176280 176.1
[M+HCOO]- 406.177221 202.6
[M+CH3COO]- 420.192871 196.6
[M+Na-2H]- 382.153686 191.7
[M]+ 361.17847142 185.4
[M]- 361.17956858 185.4
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.