CID 3054390

N-(2-(diethylamino)ethyl)-s-phenyl-s-2-thienylsulfoximine

Structural Information

Molecular Formula

C₁₆H₂₂N₂OS₂

SMILES

CCN(CC)CCN=S(=O)(C1=CC=CC=C1)C2=CC=CS2

InChI

InChI=1S/C16H22N2OS2/c1-3-18(4-2)13-12-17-21(19,16-11-8-14-20-16)15-9-6-5-7-10-15/h5-11,14H,3-4,12-13H2,1-2H3

InChIKey

NIHMEMIAMPOOFN-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[(oxo-phenyl-thiophen-2-yl-lambda6-sulfanylidene)amino]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 322.11737 Da
Monoisotopic Mass: 4.2
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]+	323.124646	176.9
[M+Na]+	345.106588	183.2
[M-H]-	321.110094	185.5
[M+NH4]+	340.151193	194.2
[M+K]+	361.080528	178.5
[M+H-H2O]+	305.114630	169.0
[M+HCOO]-	367.115571	193.5
[M+CH3COO]-	381.131221	211.7
[M+Na-2H]-	343.092036	178.1
[M]+	322.11682142	181.7
[M]-	322.11791858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe