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 189.9
[M+Na]+ 372.22979 203.3
[M+NH4]+ 367.27439 199.1
[M+K]+ 388.20373 194.9
[M-H]- 348.23329 196.1
[M+Na-2H]- 370.21524 197.3
[M]+ 349.24002 193.8
[M]- 349.24112 193.8
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.