CID 9570907

Ethanone, 1-(5-(3,4-dimethylphenyl)-2-thienyl)-, o-(2-(diethylamino)ethyl)oxime

Structural Information

Molecular Formula

C₂₀H₂₈N₂OS

SMILES

CCN(CC)CCO/N=C(\C)/C1=CC=C(S1)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H28N2OS/c1-6-22(7-2)12-13-23-21-17(5)19-10-11-20(24-19)18-9-8-15(3)16(4)14-18/h8-11,14H,6-7,12-13H2,1-5H3/b21-17+

InChIKey

GVVTXVNIEIDFQC-HEHNFIMWSA-N

Compound name

2-[(E)-1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethylideneamino]oxy-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.19223 Da
Monoisotopic Mass: 5.4
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]+	345.199506	186.8
[M+Na]+	367.181448	192.5
[M-H]-	343.184954	196.1
[M+NH4]+	362.226053	203.7
[M+K]+	383.155388	189.1
[M+H-H2O]+	327.189490	178.3
[M+HCOO]-	389.190431	208.0
[M+CH3COO]-	403.206081	224.0
[M+Na-2H]-	365.166896	183.8
[M]+	344.19168142	194.0
[M]-	344.19277858	194.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.