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 189.0
[M+Na]+ 384.16824 194.2
[M-H]- 360.17174 194.0
[M+NH4]+ 379.21284 197.1
[M+K]+ 400.14218 187.4
[M+H-H2O]+ 344.17628 176.1
[M+HCOO]- 406.17722 202.6
[M+CH3COO]- 420.19287 196.6
[M+Na-2H]- 382.15369 191.7
[M]+ 361.17847 185.4
[M]- 361.17957 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.