CID 26828

Trans-1-(2-dimethylaminoethoxy)-2-benzylindane hydrochloride

Structural Information

Molecular Formula
C20H25NO
SMILES
CN(C)CCO[C@H]1[C@@H](CC2=CC=CC=C12)CC3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c1-21(2)12-13-22-20-18(14-16-8-4-3-5-9-16)15-17-10-6-7-11-19(17)20/h3-11,18,20H,12-15H2,1-2H3/t18-,20+/m1/s1
InChIKey
SWFYIJLNAQLGNE-QUCCMNQESA-N
Compound name
2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 172.9
[M+Na]+ 318.18282 185.9
[M+NH4]+ 313.22742 182.7
[M+K]+ 334.15676 178.5
[M-H]- 294.18632 179.1
[M+Na-2H]- 316.16827 180.7
[M]+ 295.19305 176.6
[M]- 295.19415 176.6
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.