CID 6336652

Diethyxime

Structural Information

Molecular Formula

C₁₃H₁₉BrN₂OS

SMILES

CCN(CC)CCS/C(=N\O)/C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H19BrN2OS/c1-3-16(4-2)9-10-18-13(15-17)11-5-7-12(14)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3/b15-13-

InChIKey

OUPYOOXTKDZJPH-SQFISAMPSA-N

Compound name

2-(diethylamino)ethyl (1Z)-4-bromo-N-hydroxybenzenecarboximidothioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 0
Patents: 330.04016 Da
Monoisotopic Mass: 4.0
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]+	331.047436	161.5
[M+Na]+	353.029378	170.0
[M-H]-	329.032884	168.3
[M+NH4]+	348.073983	179.8
[M+K]+	369.003318	157.8
[M+H-H2O]+	313.037420	159.1
[M+HCOO]-	375.038361	178.7
[M+CH3COO]-	389.054011	210.6
[M+Na-2H]-	351.014826	164.4
[M]+	330.03961142	183.1
[M]-	330.04070858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.