CID 209259

Brn 1077624

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

C1COC2=C(N1CC3=CC=CC=C3)N=CC=C2

InChI

InChI=1S/C14H14N2O/c1-2-5-12(6-3-1)11-16-9-10-17-13-7-4-8-15-14(13)16/h1-8H,9-11H2

InChIKey

WCXRQUIQCHLFLJ-UHFFFAOYSA-N

Compound name

4-benzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.11061 Da
Monoisotopic Mass: 2.5
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]+	227.117886	150.0
[M+Na]+	249.099828	157.0
[M-H]-	225.103334	154.6
[M+NH4]+	244.144433	164.5
[M+K]+	265.073768	153.8
[M+H-H2O]+	209.107870	140.3
[M+HCOO]-	271.108811	167.8
[M+CH3COO]-	285.124461	161.5
[M+Na-2H]-	247.085276	159.0
[M]+	226.11006142	148.1
[M]-	226.11115858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe