CID 3068610

83658-15-5

Structural Information

Molecular Formula
C18H19ClN2
SMILES
CN(C)CC1CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H19ClN2/c1-21(2)12-16-10-14-8-9-15(19)11-17(14)18(20-16)13-6-4-3-5-7-13/h3-9,11,16H,10,12H2,1-2H3
InChIKey
MHUJXSHQRUTFKD-UHFFFAOYSA-N
Compound name
1-(7-chloro-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1237 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13098 169.9
[M+Na]+ 321.11292 177.9
[M-H]- 297.11642 176.8
[M+NH4]+ 316.15752 186.0
[M+K]+ 337.08686 171.9
[M+H-H2O]+ 281.12096 161.0
[M+HCOO]- 343.12190 186.7
[M+CH3COO]- 357.13755 181.2
[M+Na-2H]- 319.09837 174.8
[M]+ 298.12315 172.0
[M]- 298.12425 172.0
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.