CID 3053877

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

Structural Information

Molecular Formula
C21H21N3O2
SMILES
C1CCN(CC1)C(=O)CN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H21N3O2/c25-19(23-13-7-2-8-14-23)15-24-20(16-9-3-1-4-10-16)22-18-12-6-5-11-17(18)21(24)26/h1,3-6,9-12H,2,7-8,13-15H2
InChIKey
JBXLACLWVLIKFZ-UHFFFAOYSA-N
Compound name
3-(2-oxo-2-piperidin-1-ylethyl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.170676 184.6
[M+Na]+ 370.152618 190.3
[M-H]- 346.156124 189.9
[M+NH4]+ 365.197223 193.4
[M+K]+ 386.126558 183.7
[M+H-H2O]+ 330.160660 172.0
[M+HCOO]- 392.161601 198.6
[M+CH3COO]- 406.177251 192.7
[M+Na-2H]- 368.138066 187.9
[M]+ 347.16285142 180.7
[M]- 347.16394858 180.7
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.