CID 202991

Lu 3-073 hydrochloride

Structural Information

Molecular Formula
C20H24FNO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C20H24FNO/c1-19(2)17-7-4-5-8-18(17)20(23-19,13-6-14-22-3)15-9-11-16(21)12-10-15/h4-5,7-12,22H,6,13-14H2,1-3H3
InChIKey
URMSDCFJUVHWMC-UHFFFAOYSA-N
Compound name
3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.1842 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19148 173.9
[M+Na]+ 336.17342 182.5
[M-H]- 312.17692 181.1
[M+NH4]+ 331.21802 194.1
[M+K]+ 352.14736 178.1
[M+H-H2O]+ 296.18146 166.1
[M+HCOO]- 358.18240 194.7
[M+CH3COO]- 372.19805 209.9
[M+Na-2H]- 334.15887 178.8
[M]+ 313.18365 175.3
[M]- 313.18475 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.