CID 466113

5-[2-(2,6-dichlorophenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline

Structural Information

Molecular Formula
C17H17Cl2N
SMILES
C1CC(C2=C(C1)C=NC=C2)CCC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H17Cl2N/c18-16-5-2-6-17(19)15(16)8-7-12-3-1-4-13-11-20-10-9-14(12)13/h2,5-6,9-12H,1,3-4,7-8H2
InChIKey
FAXSSDUHABECRU-UHFFFAOYSA-N
Compound name
5-[2-(2,6-dichlorophenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0738 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.081076 168.7
[M+Na]+ 328.063018 177.3
[M-H]- 304.066524 173.1
[M+NH4]+ 323.107623 184.6
[M+K]+ 344.036958 169.3
[M+H-H2O]+ 288.071060 160.8
[M+HCOO]- 350.072001 177.7
[M+CH3COO]- 364.087651 179.1
[M+Na-2H]- 326.048466 172.5
[M]+ 305.07325142 169.6
[M]- 305.07434858 169.6
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.