CID 3066338

Beta-dimethylaminoethyl alpha-(beta-tetralyl)benzyl ether hydrochloride

Structural Information

Molecular Formula
C21H27NO
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC3=C(CCCC3)C=C2
InChI
InChI=1S/C21H27NO/c1-22(2)14-15-23-21(18-9-4-3-5-10-18)20-13-12-17-8-6-7-11-19(17)16-20/h3-5,9-10,12-13,16,21H,6-8,11,14-15H2,1-2H3
InChIKey
AUYAAADZLKIENT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl(5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 176.4
[M+Na]+ 332.198478 178.9
[M-H]- 308.201984 183.4
[M+NH4]+ 327.243083 191.6
[M+K]+ 348.172418 175.4
[M+H-H2O]+ 292.206520 167.1
[M+HCOO]- 354.207461 195.9
[M+CH3COO]- 368.223111 213.5
[M+Na-2H]- 330.183926 179.4
[M]+ 309.20871142 175.2
[M]- 309.20980858 175.2
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.