CID 46445

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

Structural Information

Molecular Formula
C19H22ClNO
SMILES
COC1=C2CCCC(C2=C(C=C1)Cl)NCCC3=CC=CC=C3
InChI
InChI=1S/C19H22ClNO/c1-22-18-11-10-16(20)19-15(18)8-5-9-17(19)21-13-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,17,21H,5,8-9,12-13H2,1H3
InChIKey
NGEXJIWTLCHWGP-UHFFFAOYSA-N
Compound name
8-chloro-5-methoxy-N-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13898 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14626 174.2
[M+Na]+ 338.12820 189.7
[M+NH4]+ 333.17280 184.5
[M+K]+ 354.10214 179.0
[M-H]- 314.13170 181.0
[M+Na-2H]- 336.11365 183.0
[M]+ 315.13843 178.9
[M]- 315.13953 178.9
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.