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]+ 262.180156 160.7
[M+Na]+ 284.162098 168.5
[M-H]- 260.165604 165.9
[M+NH4]+ 279.206703 183.1
[M+K]+ 300.136038 166.5
[M+H-H2O]+ 244.170140 156.0
[M+HCOO]- 306.171081 181.8
[M+CH3COO]- 320.186731 200.5
[M+Na-2H]- 282.147546 166.1
[M]+ 261.17233142 164.1
[M]- 261.17342858 164.1
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.