CID 3048818

2,3-dihydro-alpha-(1-((3-(butylthio)propyl)amino)ethyl)-1h-indenemethanol hydrochloride

Structural Information

Molecular Formula
C19H31NOS
SMILES
CCCCSCCCNC(C)C(C1=CC2=C(CCC2)C=C1)O
InChI
InChI=1S/C19H31NOS/c1-3-4-12-22-13-6-11-20-15(2)19(21)18-10-9-16-7-5-8-17(16)14-18/h9-10,14-15,19-21H,3-8,11-13H2,1-2H3
InChIKey
GEJFDWHNCCAFQD-UHFFFAOYSA-N
Compound name
2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.21265 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21993 179.7
[M+Na]+ 344.20187 187.3
[M+NH4]+ 339.24647 187.7
[M+K]+ 360.17581 179.9
[M-H]- 320.20537 181.6
[M+Na-2H]- 342.18732 181.7
[M]+ 321.21210 181.5
[M]- 321.21320 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.