CID 204449

Indene-3-ethylamine, n,n-diethyl-2-(p-ethoxybenzyl)-, hydrochloride

Structural Information

Molecular Formula
C24H31NO
SMILES
CCN(CC)CCC1=C(CC2=CC=CC=C21)CC3=CC=C(C=C3)OCC
InChI
InChI=1S/C24H31NO/c1-4-25(5-2)16-15-24-21(18-20-9-7-8-10-23(20)24)17-19-11-13-22(14-12-19)26-6-3/h7-14H,4-6,15-18H2,1-3H3
InChIKey
NIOBSOBMRJDADY-UHFFFAOYSA-N
Compound name
2-[2-[(4-ethoxyphenyl)methyl]-3H-inden-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24057 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.247846 190.5
[M+Na]+ 372.229788 195.9
[M-H]- 348.233294 198.7
[M+NH4]+ 367.274393 207.0
[M+K]+ 388.203728 190.9
[M+H-H2O]+ 332.237830 181.6
[M+HCOO]- 394.238771 213.7
[M+CH3COO]- 408.254421 222.9
[M+Na-2H]- 370.215236 190.9
[M]+ 349.24002142 195.5
[M]- 349.24111858 195.5
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.