CID 3055343

2-(2-dimethylaminoethoxy)bibenzyl hydrochloride

Structural Information

Molecular Formula
C18H23NO
SMILES
CN(C)CCOC1=CC=CC=C1CCC2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-19(2)14-15-20-18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKey
XWOQDZRNZBDJRH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-(2-phenylethyl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

269.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 165.7
[M+Na]+ 292.16720 170.7
[M-H]- 268.17070 173.0
[M+NH4]+ 287.21180 182.2
[M+K]+ 308.14114 167.7
[M+H-H2O]+ 252.17524 157.0
[M+HCOO]- 314.17618 190.4
[M+CH3COO]- 328.19183 205.5
[M+Na-2H]- 290.15265 170.4
[M]+ 269.17743 168.4
[M]- 269.17853 168.4
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