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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.112806	157.8
[M+Na]+	277.094748	166.5
[M-H]-	253.098254	163.2
[M+NH4]+	272.139353	171.7
[M+K]+	293.068688	163.1
[M+H-H2O]+	237.102790	148.3
[M+HCOO]-	299.103731	175.7
[M+CH3COO]-	313.119381	169.5
[M+Na-2H]-	275.080196	164.8
[M]+	254.10498142	157.9
[M]-	254.10607858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.