CID 9570901

Ethanone, 1-(5-(4-ethylphenyl)-2-thienyl)-, o-(2-(4-morpholinyl)ethyl)oxime

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂S

SMILES

CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCCN3CCOCC3)/C

InChI

InChI=1S/C20H26N2O2S/c1-3-17-4-6-18(7-5-17)20-9-8-19(25-20)16(2)21-24-15-12-22-10-13-23-14-11-22/h4-9H,3,10-15H2,1-2H3/b21-16+

InChIKey

ZGPXPKHCPVVNHD-LTGZKZEYSA-N

Compound name

(E)-1-[5-(4-ethylphenyl)thiophen-2-yl]-N-(2-morpholin-4-ylethoxy)ethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.1715 Da
Monoisotopic Mass: 4.3
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]+	359.178776	187.0
[M+Na]+	381.160718	191.3
[M-H]-	357.164224	196.4
[M+NH4]+	376.205323	199.5
[M+K]+	397.134658	188.1
[M+H-H2O]+	341.168760	177.8
[M+HCOO]-	403.169701	202.5
[M+CH3COO]-	417.185351	216.0
[M+Na-2H]-	379.146166	185.2
[M]+	358.17095142	189.0
[M]-	358.17204858	189.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.