CID 114394

Lu 3-027

Structural Information

Molecular Formula
C24H33NO
SMILES
CCC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=CC=C3C)CC
InChI
InChI=1S/C24H33NO/c1-6-23(7-2)21-15-10-11-16-22(21)24(26-23,17-12-18-25(4)5)20-14-9-8-13-19(20)3/h8-11,13-16H,6-7,12,17-18H2,1-5H3
InChIKey
IVGSTCJRBNQLKN-UHFFFAOYSA-N
Compound name
3-[3,3-diethyl-1-(2-methylphenyl)-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.25623 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26351 188.1
[M+Na]+ 374.24545 201.2
[M+NH4]+ 369.29005 200.0
[M+K]+ 390.21939 190.2
[M-H]- 350.24895 195.4
[M+Na-2H]- 372.23090 197.3
[M]+ 351.25568 192.7
[M]- 351.25678 192.7
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.