CID 211012

Lu 3-109 hydrochloride

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)N)C
InChI
InChI=1S/C16H24N2O2/c1-15(2)12-8-5-6-9-13(12)16(20-15,14(17)19)10-7-11-18(3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H2,17,19)
InChIKey
MBBSRANQOXVNEB-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 165.3
[M+Na]+ 299.17300 172.2
[M-H]- 275.17650 171.2
[M+NH4]+ 294.21760 186.9
[M+K]+ 315.14694 171.4
[M+H-H2O]+ 259.18104 160.1
[M+HCOO]- 321.18198 187.1
[M+CH3COO]- 335.19763 208.4
[M+Na-2H]- 297.15845 169.4
[M]+ 276.18323 168.1
[M]- 276.18433 168.1
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.