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]+ 331.144116 179.9
[M+Na]+ 353.126058 187.0
[M-H]- 329.129564 187.6
[M+NH4]+ 348.170663 189.7
[M+K]+ 369.099998 181.6
[M+H-H2O]+ 313.134100 168.0
[M+HCOO]- 375.135041 196.7
[M+CH3COO]- 389.150691 189.6
[M+Na-2H]- 351.111506 185.7
[M]+ 330.13629142 178.9
[M]- 330.13738858 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.