CID 72176

Tipropidil

Structural Information

Molecular Formula

C₂₀H₃₅NO₂S

SMILES

CCCCCCCCNCC(COC1=CC=C(C=C1)SC(C)C)O

InChI

InChI=1S/C20H35NO2S/c1-4-5-6-7-8-9-14-21-15-18(22)16-23-19-10-12-20(13-11-19)24-17(2)3/h10-13,17-18,21-22H,4-9,14-16H2,1-3H3

InChIKey

ZAPDURRCHSKKKK-UHFFFAOYSA-N

Compound name

1-(octylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 357
Patents: 353.23886 Da
Monoisotopic Mass: 5.6
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]+	354.246136	190.0
[M+Na]+	376.228078	191.4
[M-H]-	352.231584	190.2
[M+NH4]+	371.272683	202.4
[M+K]+	392.202018	186.8
[M+H-H2O]+	336.236120	181.8
[M+HCOO]-	398.237061	203.3
[M+CH3COO]-	412.252711	217.0
[M+Na-2H]-	374.213526	186.4
[M]+	353.23831142	195.2
[M]-	353.23940858	195.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe