CID 3069716

Piperidine, 1-((4-oxo-2-(phenoxymethyl)-3(4h)-quinazolinyl)acetyl)-

Structural Information

Molecular Formula
C22H23N3O3
SMILES
C1CCN(CC1)C(=O)CN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4
InChI
InChI=1S/C22H23N3O3/c26-21(24-13-7-2-8-14-24)15-25-20(16-28-17-9-3-1-4-10-17)23-19-12-6-5-11-18(19)22(25)27/h1,3-6,9-12H,2,7-8,13-16H2
InChIKey
MWUSLKFVBNSBMO-UHFFFAOYSA-N
Compound name
3-(2-oxo-2-piperidin-1-ylethyl)-2-(phenoxymethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17395 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 191.6
[M+Na]+ 400.16317 196.6
[M-H]- 376.16667 196.7
[M+NH4]+ 395.20777 199.0
[M+K]+ 416.13711 190.5
[M+H-H2O]+ 360.17121 178.6
[M+HCOO]- 422.17215 205.4
[M+CH3COO]- 436.18780 199.1
[M+Na-2H]- 398.14862 194.5
[M]+ 377.17340 189.4
[M]- 377.17450 189.4
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.