CID 13198101

88799-63-7

Structural Information

Molecular Formula
C21H18N2O2
SMILES
C1=CC=C(C=C1)CCN2C(=O)C(OC3=C2N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2O2/c24-21-19(17-10-5-2-6-11-17)25-18-12-7-14-22-20(18)23(21)15-13-16-8-3-1-4-9-16/h1-12,14,19H,13,15H2
InChIKey
AACYFOWMAZVEGN-UHFFFAOYSA-N
Compound name
2-phenyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14412 179.7
[M+Na]+ 353.12606 197.5
[M+NH4]+ 348.17066 188.4
[M+K]+ 369.10000 187.7
[M-H]- 329.12956 187.9
[M+Na-2H]- 351.11151 190.1
[M]+ 330.13629 184.9
[M]- 330.13739 184.9
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.