CID 47174

64058-49-7

Structural Information

Molecular Formula
C20H24ClNO
SMILES
CN(CCC1=CC=CC=C1)C2CCCC3=C(C=CC(=C23)Cl)OC
InChI
InChI=1S/C20H24ClNO/c1-22(14-13-15-7-4-3-5-8-15)18-10-6-9-16-19(23-2)12-11-17(21)20(16)18/h3-5,7-8,11-12,18H,6,9-10,13-14H2,1-2H3
InChIKey
NMYZGVMJMVABHF-UHFFFAOYSA-N
Compound name
8-chloro-5-methoxy-N-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.15463 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.161906 179.1
[M+Na]+ 352.143848 185.2
[M-H]- 328.147354 186.8
[M+NH4]+ 347.188453 195.2
[M+K]+ 368.117788 179.8
[M+H-H2O]+ 312.151890 170.9
[M+HCOO]- 374.152831 195.4
[M+CH3COO]- 388.168481 215.6
[M+Na-2H]- 350.129296 181.9
[M]+ 329.15408142 181.5
[M]- 329.15517858 181.5
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.