CID 3055351

2-(4-dimethylaminobutoxy)bibenzyl hydrochloride

Structural Information

Molecular Formula
C20H27NO
SMILES
CN(C)CCCCOC1=CC=CC=C1CCC2=CC=CC=C2
InChI
InChI=1S/C20H27NO/c1-21(2)16-8-9-17-22-20-13-7-6-12-19(20)15-14-18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3
InChIKey
HHCCYWDDMCIWHW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

297.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 175.0
[M+Na]+ 320.19848 179.1
[M-H]- 296.20198 181.8
[M+NH4]+ 315.24308 190.3
[M+K]+ 336.17242 175.6
[M+H-H2O]+ 280.20652 165.8
[M+HCOO]- 342.20746 199.0
[M+CH3COO]- 356.22311 211.4
[M+Na-2H]- 318.18393 178.5
[M]+ 297.20871 178.4
[M]- 297.20981 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe