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 172.8
[M+Na]+ 318.18282 178.1
[M-H]- 294.18632 181.0
[M+NH4]+ 313.22742 191.2
[M+K]+ 334.15676 174.2
[M+H-H2O]+ 278.19086 164.5
[M+HCOO]- 340.19180 196.0
[M+CH3COO]- 354.20745 210.3
[M+Na-2H]- 316.16827 175.2
[M]+ 295.19305 174.7
[M]- 295.19415 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.