CID 47174

1-naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-n-methyl-n-phenethyl-, hydrobromide

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]+ 330.16191 178.3
[M+Na]+ 352.14385 193.7
[M+NH4]+ 347.18845 188.7
[M+K]+ 368.11779 183.4
[M-H]- 328.14735 185.3
[M+Na-2H]- 350.12930 187.0
[M]+ 329.15408 183.1
[M]- 329.15518 183.1
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.