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 189.0
[M+Na]+ 374.24545 195.8
[M-H]- 350.24895 198.2
[M+NH4]+ 369.29005 208.3
[M+K]+ 390.21939 192.4
[M+H-H2O]+ 334.25349 181.3
[M+HCOO]- 396.25443 209.9
[M+CH3COO]- 410.27008 222.4
[M+Na-2H]- 372.23090 191.5
[M]+ 351.25568 193.9
[M]- 351.25678 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.