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]+ 276.19582 167.3
[M+Na]+ 298.17776 173.2
[M-H]- 274.18126 173.3
[M+NH4]+ 293.22236 187.5
[M+K]+ 314.15170 172.8
[M+H-H2O]+ 258.18580 162.0
[M+HCOO]- 320.18674 187.0
[M+CH3COO]- 334.20239 206.5
[M+Na-2H]- 296.16321 171.8
[M]+ 275.18799 171.0
[M]- 275.18909 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.