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]+ 352.263506 189.0
[M+Na]+ 374.245448 195.8
[M-H]- 350.248954 198.2
[M+NH4]+ 369.290053 208.3
[M+K]+ 390.219388 192.4
[M+H-H2O]+ 334.253490 181.3
[M+HCOO]- 396.254431 209.9
[M+CH3COO]- 410.270081 222.4
[M+Na-2H]- 372.230896 191.5
[M]+ 351.25568142 193.9
[M]- 351.25677858 193.9
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.