CID 3080289

127905-86-6

Structural Information

Molecular Formula

C₁₅H₁₇NOS

SMILES

CNCC1=CC=CC=C1SC2=CC=CC(=C2)OC

InChI

InChI=1S/C15H17NOS/c1-16-11-12-6-3-4-9-15(12)18-14-8-5-7-13(10-14)17-2/h3-10,16H,11H2,1-2H3

InChIKey

OIWKOIAIXYFZHR-UHFFFAOYSA-N

Compound name

1-[2-(3-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 259.1031 Da
Monoisotopic Mass: 3.3
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]+	260.11038	158.0
[M+Na]+	282.09232	172.3
[M+NH4]+	277.13692	167.8
[M+K]+	298.06626	161.6
[M-H]-	258.09582	164.2
[M+Na-2H]-	280.07777	167.7
[M]+	259.10255	162.5
[M]-	259.10365	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe