CID 3080271

Vufb-15486

Structural Information

Molecular Formula

C₁₆H₁₉NS

SMILES

CC(CC1=CC=CC=C1SC2=CC=CC=C2)NC

InChI

InChI=1S/C16H19NS/c1-13(17-2)12-14-8-6-7-11-16(14)18-15-9-4-3-5-10-15/h3-11,13,17H,12H2,1-2H3

InChIKey

HOPYVEWIFRKSQV-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-phenylsulfanylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.1238 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]+	258.13108	158.5
[M+Na]+	280.11302	164.5
[M-H]-	256.11652	164.9
[M+NH4]+	275.15762	175.6
[M+K]+	296.08696	159.4
[M+H-H2O]+	240.12106	150.9
[M+HCOO]-	302.12200	177.1
[M+CH3COO]-	316.13765	198.6
[M+Na-2H]-	278.09847	161.2
[M]+	257.12325	159.6
[M]-	257.12435	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe