CID 30918

Lu 3-102 hydrochloride

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(=O)C1(C2=CC=CC=C2CO1)CCC(C)(C)N(C)C
InChI
InChI=1S/C17H25NO2/c1-13(19)17(11-10-16(2,3)18(4)5)15-9-7-6-8-14(15)12-20-17/h6-9H,10-12H2,1-5H3
InChIKey
GDMXNGFKVVBSTM-UHFFFAOYSA-N
Compound name
1-[1-[3-(dimethylamino)-3-methylbutyl]-3H-2-benzofuran-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.3
[M+Na]+ 298.177758 173.2
[M-H]- 274.181264 173.3
[M+NH4]+ 293.222363 187.5
[M+K]+ 314.151698 172.8
[M+H-H2O]+ 258.185800 162.0
[M+HCOO]- 320.186741 187.0
[M+CH3COO]- 334.202391 206.5
[M+Na-2H]- 296.163206 171.8
[M]+ 275.18799142 171.0
[M]- 275.18908858 171.0
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.