CID 13198102

88799-62-6

Structural Information

Molecular Formula
C21H18N2O2
SMILES
CC(C1=CC=CC=C1)N2C(=O)C(OC3=C2N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2O2/c1-15(16-9-4-2-5-10-16)23-20-18(13-8-14-22-20)25-19(21(23)24)17-11-6-3-7-12-17/h2-15,19H,1H3
InChIKey
DKSBUOSINJKJOT-UHFFFAOYSA-N
Compound name
2-phenyl-4-(1-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.144116 179.7
[M+Na]+ 353.126058 186.5
[M-H]- 329.129564 187.5
[M+NH4]+ 348.170663 189.5
[M+K]+ 369.099998 181.7
[M+H-H2O]+ 313.134100 168.0
[M+HCOO]- 375.135041 195.5
[M+CH3COO]- 389.150691 189.3
[M+Na-2H]- 351.111506 184.4
[M]+ 330.13629142 178.2
[M]- 330.13738858 178.2
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.