CID 33525

Letimide

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₃

SMILES

CCN(CC)CCN1C(=O)C2=CC=CC=C2OC1=O

InChI

InChI=1S/C14H18N2O3/c1-3-15(4-2)9-10-16-13(17)11-7-5-6-8-12(11)19-14(16)18/h5-8H,3-4,9-10H2,1-2H3

InChIKey

GRPWANKDBCDDEV-UHFFFAOYSA-N

Compound name

3-[2-(diethylamino)ethyl]-1,3-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1161
Patents: 262.13174 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]+	263.139016	158.2
[M+Na]+	285.120958	167.4
[M-H]-	261.124464	163.8
[M+NH4]+	280.165563	174.1
[M+K]+	301.094898	166.1
[M+H-H2O]+	245.129000	150.1
[M+HCOO]-	307.129941	181.2
[M+CH3COO]-	321.145591	203.0
[M+Na-2H]-	283.106406	165.2
[M]+	262.13119142	164.3
[M]-	262.13228858	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe