CID 30511

21162-93-6

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CCN(CC)CCN1COC2=CC=CC=C2C1=O

InChI

InChI=1S/C14H20N2O2/c1-3-15(4-2)9-10-16-11-18-13-8-6-5-7-12(13)14(16)17/h5-8H,3-4,9-11H2,1-2H3

InChIKey

BFSTVIQBRWJMPZ-UHFFFAOYSA-N

Compound name

3-[2-(diethylamino)ethyl]-2H-1,3-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.15248 Da
Monoisotopic Mass: 2.0
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]+	249.15976	158.2
[M+Na]+	271.14170	164.3
[M-H]-	247.14520	162.6
[M+NH4]+	266.18630	174.3
[M+K]+	287.11564	163.3
[M+H-H2O]+	231.14974	150.1
[M+HCOO]-	293.15068	178.0
[M+CH3COO]-	307.16633	201.0
[M+Na-2H]-	269.12715	164.0
[M]+	248.15193	160.3
[M]-	248.15303	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe