CID 47172

1-naphthylamine, 1,2,3,4-tetrahydro-6,8-dichloro-n,n-dimethyl-5-methoxy-, hydrobromide

Structural Information

Molecular Formula
C13H17Cl2NO
SMILES
CN(C)C1CCCC2=C1C(=CC(=C2OC)Cl)Cl
InChI
InChI=1S/C13H17Cl2NO/c1-16(2)11-6-4-5-8-12(11)9(14)7-10(15)13(8)17-3/h7,11H,4-6H2,1-3H3
InChIKey
HKWILWLLOVAATP-UHFFFAOYSA-N
Compound name
6,8-dichloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06873 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07601 158.9
[M+Na]+ 296.05795 168.1
[M-H]- 272.06145 164.0
[M+NH4]+ 291.10255 178.7
[M+K]+ 312.03189 163.5
[M+H-H2O]+ 256.06599 154.3
[M+HCOO]- 318.06693 171.2
[M+CH3COO]- 332.08258 204.5
[M+Na-2H]- 294.04340 161.6
[M]+ 273.06818 162.9
[M]- 273.06928 162.9
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.