CID 13198098

88799-59-1

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCCC1C(=O)N(C2=C(O1)C=CC=N2)CCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O2/c1-2-7-16-18(21)20(13-11-14-8-4-3-5-9-14)17-15(22-16)10-6-12-19-17/h3-6,8-10,12,16H,2,7,11,13H2,1H3
InChIKey
LWCDXABCPKBDEY-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)-2-propylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.7
[M+Na]+ 319.14169 179.0
[M-H]- 295.14519 176.4
[M+NH4]+ 314.18629 183.7
[M+K]+ 335.11563 174.8
[M+H-H2O]+ 279.14973 161.4
[M+HCOO]- 341.15067 188.4
[M+CH3COO]- 355.16632 182.0
[M+Na-2H]- 317.12714 177.0
[M]+ 296.15192 172.7
[M]- 296.15302 172.7
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.