CID 114396

Lu 3-042

Structural Information

Molecular Formula
C20H25NO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCN(C)C)C3=CC=CC=C3)C
InChI
InChI=1S/C20H25NO/c1-19(2)17-12-8-9-13-18(17)20(22-19,14-15-21(3)4)16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3
InChIKey
LMYAOVCJHZMYQN-UHFFFAOYSA-N
Compound name
2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 171.4
[M+Na]+ 318.182818 179.2
[M-H]- 294.186324 181.1
[M+NH4]+ 313.227423 192.7
[M+K]+ 334.156758 176.6
[M+H-H2O]+ 278.190860 164.2
[M+HCOO]- 340.191801 193.8
[M+CH3COO]- 354.207451 209.5
[M+Na-2H]- 316.168266 176.7
[M]+ 295.19305142 174.7
[M]- 295.19414858 174.7
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.