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]+ 277.191056 165.3
[M+Na]+ 299.172998 172.2
[M-H]- 275.176504 171.2
[M+NH4]+ 294.217603 186.9
[M+K]+ 315.146938 171.4
[M+H-H2O]+ 259.181040 160.1
[M+HCOO]- 321.181981 187.1
[M+CH3COO]- 335.197631 208.4
[M+Na-2H]- 297.158446 169.4
[M]+ 276.18323142 168.1
[M]- 276.18432858 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.