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]+ 310.21654 176.4
[M+Na]+ 332.19848 178.9
[M-H]- 308.20198 183.4
[M+NH4]+ 327.24308 191.6
[M+K]+ 348.17242 175.4
[M+H-H2O]+ 292.20652 167.1
[M+HCOO]- 354.20746 195.9
[M+CH3COO]- 368.22311 213.5
[M+Na-2H]- 330.18393 179.4
[M]+ 309.20871 175.2
[M]- 309.20981 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.