CID 18642483

Chembl39354

Structural Information

Molecular Formula
C18H19Cl2N
SMILES
CN(C)[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H19Cl2N/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12/h3-7,9,11,13,18H,8,10H2,1-2H3/t13-,18-/m0/s1
InChIKey
LTKRQOGLVNJKBK-UGSOOPFHSA-N
Compound name
(1S,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

29
Patents

319.08945 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09673 172.3
[M+Na]+ 342.07867 189.4
[M+NH4]+ 337.12327 183.5
[M+K]+ 358.05261 178.5
[M-H]- 318.08217 179.6
[M+Na-2H]- 340.06412 181.6
[M]+ 319.08890 177.8
[M]- 319.09000 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe