CID 30922

Lu 4-003 hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(=O)C1(C2=CC=CC=C2C(O1)(C)C)CCCNC
InChI
InChI=1S/C16H23NO2/c1-12(18)16(10-7-11-17-4)14-9-6-5-8-13(14)15(2,3)19-16/h5-6,8-9,17H,7,10-11H2,1-4H3
InChIKey
IPTDLSBGNXBRFG-UHFFFAOYSA-N
Compound name
1-[3,3-dimethyl-1-[3-(methylamino)propyl]-2-benzofuran-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 161.2
[M+Na]+ 284.16210 171.6
[M+NH4]+ 279.20670 172.0
[M+K]+ 300.13604 163.4
[M-H]- 260.16560 164.5
[M+Na-2H]- 282.14755 167.5
[M]+ 261.17233 163.9
[M]- 261.17343 163.9
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.