CID 63400

Brn 1225482

Structural Information

Molecular Formula
C19H19N3O2
SMILES
C1COCCN1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C19H19N3O2/c23-19-16-8-4-5-9-17(16)20-18(14-21-10-12-24-13-11-21)22(19)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKey
NALFTBYBXXCJSO-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.8
[M+Na]+ 344.13696 193.9
[M+NH4]+ 339.18156 184.8
[M+K]+ 360.11090 185.0
[M-H]- 320.14046 183.9
[M+Na-2H]- 342.12241 186.3
[M]+ 321.14719 181.4
[M]- 321.14829 181.4
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.