CID 13198100

88799-61-5

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C1=CC=C(C=C1)CN2C(=O)C(OC3=C2N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O2/c23-20-18(16-10-5-2-6-11-16)24-17-12-7-13-21-19(17)22(20)14-15-8-3-1-4-9-15/h1-13,18H,14H2
InChIKey
BGZSPFOXKCHAEG-UHFFFAOYSA-N
Compound name
4-benzyl-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.128476 175.4
[M+Na]+ 339.110418 183.0
[M-H]- 315.113924 183.3
[M+NH4]+ 334.155023 185.8
[M+K]+ 355.084358 177.8
[M+H-H2O]+ 299.118460 163.7
[M+HCOO]- 361.119401 192.5
[M+CH3COO]- 375.135051 185.5
[M+Na-2H]- 337.095866 181.7
[M]+ 316.12065142 174.1
[M]- 316.12174858 174.1
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.