CID 1716361

129658-10-2

Structural Information

Molecular Formula

C₁₅H₂₅NO₂S

SMILES

CCCCCSC1=C(C=C(C(=C1)OC)CCN)OC

InChI

InChI=1S/C15H25NO2S/c1-4-5-6-9-19-15-11-13(17-2)12(7-8-16)10-14(15)18-3/h10-11H,4-9,16H2,1-3H3

InChIKey

SPHRAOZAEYDNOD-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 283.1606 Da
Monoisotopic Mass: 3.5
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]+	284.16788	167.8
[M+Na]+	306.14982	178.5
[M+NH4]+	301.19442	175.5
[M+K]+	322.12376	169.2
[M-H]-	282.15332	170.3
[M+Na-2H]-	304.13527	171.9
[M]+	283.16005	170.5
[M]-	283.16115	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe