CID 13198088

88799-49-9

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CC1C(=O)N(C2=C(O1)C=CC=N2)CC3=CC=CC=C3
InChI
InChI=1S/C15H14N2O2/c1-11-15(18)17(10-12-6-3-2-4-7-12)14-13(19-11)8-5-9-16-14/h2-9,11H,10H2,1H3
InChIKey
DGZMKVJWXXTDJZ-UHFFFAOYSA-N
Compound name
4-benzyl-2-methylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.8
[M+Na]+ 277.09475 166.5
[M-H]- 253.09825 163.2
[M+NH4]+ 272.13935 171.7
[M+K]+ 293.06869 163.1
[M+H-H2O]+ 237.10279 148.3
[M+HCOO]- 299.10373 175.7
[M+CH3COO]- 313.11938 169.5
[M+Na-2H]- 275.08020 164.8
[M]+ 254.10498 157.9
[M]- 254.10608 157.9
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.