CID 3053877

Brn 0838625

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]+ 348.17068 184.6
[M+Na]+ 370.15262 190.3
[M-H]- 346.15612 189.9
[M+NH4]+ 365.19722 193.4
[M+K]+ 386.12656 183.7
[M+H-H2O]+ 330.16066 172.0
[M+HCOO]- 392.16160 198.6
[M+CH3COO]- 406.17725 192.7
[M+Na-2H]- 368.13807 187.9
[M]+ 347.16285 180.7
[M]- 347.16395 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.