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]+ 296.200876 172.8
[M+Na]+ 318.182818 178.1
[M-H]- 294.186324 181.0
[M+NH4]+ 313.227423 191.2
[M+K]+ 334.156758 174.2
[M+H-H2O]+ 278.190860 164.5
[M+HCOO]- 340.191801 196.0
[M+CH3COO]- 354.207451 210.3
[M+Na-2H]- 316.168266 175.2
[M]+ 295.19305142 174.7
[M]- 295.19414858 174.7
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.