CID 218934

Brn 2139080

Structural Information

Molecular Formula

C₁₃H₂₂NO₃PS

SMILES

CCOP(=O)(C)SCCN(C)C1=CC=C(C=C1)OC

InChI

InChI=1S/C13H22NO3PS/c1-5-17-18(4,15)19-11-10-14(2)12-6-8-13(16-3)9-7-12/h6-9H,5,10-11H2,1-4H3

InChIKey

VCYVNKLZFCNDMZ-UHFFFAOYSA-N

Compound name

N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-4-methoxy-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.1058 Da
Monoisotopic Mass: 2.0
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]+	304.113076	169.3
[M+Na]+	326.095018	174.8
[M-H]-	302.098524	172.8
[M+NH4]+	321.139623	185.8
[M+K]+	342.068958	173.5
[M+H-H2O]+	286.103060	159.5
[M+HCOO]-	348.104001	193.4
[M+CH3COO]-	362.119651	209.1
[M+Na-2H]-	324.080466	168.7
[M]+	303.10525142	177.8
[M]-	303.10634858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.