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]+ 317.12848 175.4
[M+Na]+ 339.11042 183.0
[M-H]- 315.11392 183.3
[M+NH4]+ 334.15502 185.8
[M+K]+ 355.08436 177.8
[M+H-H2O]+ 299.11846 163.7
[M+HCOO]- 361.11940 192.5
[M+CH3COO]- 375.13505 185.5
[M+Na-2H]- 337.09587 181.7
[M]+ 316.12065 174.1
[M]- 316.12175 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.