CID 30920

Lu 3-105 hydrochloride

Structural Information

Molecular Formula
C22H27NO2
SMILES
CC(C)(CCC1(C2=CC=CC=C2CO1)C(=O)C3=CC=CC=C3)N(C)C
InChI
InChI=1S/C22H27NO2/c1-21(2,23(3)4)14-15-22(20(24)17-10-6-5-7-11-17)19-13-9-8-12-18(19)16-25-22/h5-13H,14-16H2,1-4H3
InChIKey
PSDAPQCBVGCSEA-UHFFFAOYSA-N
Compound name
[1-[3-(dimethylamino)-3-methylbutyl]-3H-2-benzofuran-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 184.4
[M+Na]+ 360.193418 189.3
[M-H]- 336.196924 193.2
[M+NH4]+ 355.238023 201.4
[M+K]+ 376.167358 187.4
[M+H-H2O]+ 320.201460 177.0
[M+HCOO]- 382.202401 203.7
[M+CH3COO]- 396.218051 217.1
[M+Na-2H]- 358.178866 188.1
[M]+ 337.20365142 187.1
[M]- 337.20474858 187.1
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.