CID 120485

Brn 2740878

Structural Information

Molecular Formula

C₁₇H₂₂NPS

SMILES

CN(C)CCCP(=S)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H22NPS/c1-18(2)14-9-15-19(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3

InChIKey

SPUZMVJOAKRHLR-UHFFFAOYSA-N

Compound name

3-diphenylphosphinothioyl-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 303.12106 Da
Monoisotopic Mass: 4.6
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]+	304.128336	171.1
[M+Na]+	326.110278	176.0
[M-H]-	302.113784	177.2
[M+NH4]+	321.154883	187.2
[M+K]+	342.084218	171.6
[M+H-H2O]+	286.118320	160.4
[M+HCOO]-	348.119261	194.8
[M+CH3COO]-	362.134911	209.5
[M+Na-2H]-	324.095726	170.9
[M]+	303.12051142	173.6
[M]-	303.12160858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe