CID 3053880

Brn 0846987

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]+ 362.18630 188.3
[M+Na]+ 384.16824 204.0
[M+NH4]+ 379.21284 195.5
[M+K]+ 400.14218 195.0
[M-H]- 360.17174 193.6
[M+Na-2H]- 382.15369 197.2
[M]+ 361.17847 192.1
[M]- 361.17957 192.1
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.