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]+ 304.227096 174.5
[M+Na]+ 326.209038 180.8
[M-H]- 302.212544 180.6
[M+NH4]+ 321.253643 195.7
[M+K]+ 342.182978 180.1
[M+H-H2O]+ 286.217080 169.5
[M+HCOO]- 348.218021 194.0
[M+CH3COO]- 362.233671 213.8
[M+Na-2H]- 324.194486 176.4
[M]+ 303.21927142 179.5
[M]- 303.22036858 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.