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]+ 269.12848 162.5
[M+Na]+ 291.11042 170.7
[M-H]- 267.11392 167.6
[M+NH4]+ 286.15502 175.7
[M+K]+ 307.08436 167.0
[M+H-H2O]+ 251.11846 152.7
[M+HCOO]- 313.11940 180.0
[M+CH3COO]- 327.13505 173.7
[M+Na-2H]- 289.09587 168.9
[M]+ 268.12065 162.8
[M]- 268.12175 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.