CID 211055

Lu 5-006 hydrochloride

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(C)C(=O)C1(C2=CC=CC=C2C(O1)(C)C)CCCN(C)C
InChI
InChI=1S/C19H29NO2/c1-14(2)17(21)19(12-9-13-20(5)6)16-11-8-7-10-15(16)18(3,4)22-19/h7-8,10-11,14H,9,12-13H2,1-6H3
InChIKey
PXRZISDVARTFQF-UHFFFAOYSA-N
Compound name
1-[1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 174.5
[M+Na]+ 326.20904 180.8
[M-H]- 302.21254 180.6
[M+NH4]+ 321.25364 195.7
[M+K]+ 342.18298 180.1
[M+H-H2O]+ 286.21708 169.5
[M+HCOO]- 348.21802 194.0
[M+CH3COO]- 362.23367 213.8
[M+Na-2H]- 324.19449 176.4
[M]+ 303.21927 179.5
[M]- 303.22037 179.5
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.