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 179.1
[M+Na]+ 352.14385 185.2
[M-H]- 328.14735 186.8
[M+NH4]+ 347.18845 195.2
[M+K]+ 368.11779 179.8
[M+H-H2O]+ 312.15189 170.9
[M+HCOO]- 374.15283 195.4
[M+CH3COO]- 388.16848 215.6
[M+Na-2H]- 350.12930 181.9
[M]+ 329.15408 181.5
[M]- 329.15518 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.