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 177.4
[M+Na]+ 344.13696 184.3
[M-H]- 320.14046 183.5
[M+NH4]+ 339.18156 186.1
[M+K]+ 360.11090 179.1
[M+H-H2O]+ 304.14500 164.8
[M+HCOO]- 366.14594 191.9
[M+CH3COO]- 380.16159 186.5
[M+Na-2H]- 342.12241 183.0
[M]+ 321.14719 174.8
[M]- 321.14829 174.8
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

patents stripe