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 179.9
[M+Na]+ 353.12606 187.0
[M-H]- 329.12956 187.6
[M+NH4]+ 348.17066 189.7
[M+K]+ 369.10000 181.6
[M+H-H2O]+ 313.13410 168.0
[M+HCOO]- 375.13504 196.7
[M+CH3COO]- 389.15069 189.6
[M+Na-2H]- 351.11151 185.7
[M]+ 330.13629 178.9
[M]- 330.13739 178.9
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.