CID 13198094

88799-55-7

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CCC1C(=O)N(C2=C(O1)C=CC=N2)CC3=CC=CC=C3
InChI
InChI=1S/C16H16N2O2/c1-2-13-16(19)18(11-12-7-4-3-5-8-12)15-14(20-13)9-6-10-17-15/h3-10,13H,2,11H2,1H3
InChIKey
XFMCOCBFKYDDMX-UHFFFAOYSA-N
Compound name
4-benzyl-2-ethylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 162.5
[M+Na]+ 291.110418 170.7
[M-H]- 267.113924 167.6
[M+NH4]+ 286.155023 175.7
[M+K]+ 307.084358 167.0
[M+H-H2O]+ 251.118460 152.7
[M+HCOO]- 313.119401 180.0
[M+CH3COO]- 327.135051 173.7
[M+Na-2H]- 289.095866 168.9
[M]+ 268.12065142 162.8
[M]- 268.12174858 162.8
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.