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]+ 350.24785 190.5
[M+Na]+ 372.22979 195.9
[M-H]- 348.23329 198.7
[M+NH4]+ 367.27439 207.0
[M+K]+ 388.20373 190.9
[M+H-H2O]+ 332.23783 181.6
[M+HCOO]- 394.23877 213.7
[M+CH3COO]- 408.25442 222.9
[M+Na-2H]- 370.21524 190.9
[M]+ 349.24002 195.5
[M]- 349.24112 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.