CID 35933

2-(o-chlorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromide

Structural Information

Molecular Formula
C18H20ClNO2
SMILES
COC1=C(C=C2CN(CCC2=C1)CC3=CC=CC=C3Cl)OC
InChI
InChI=1S/C18H20ClNO2/c1-21-17-9-13-7-8-20(12-15(13)10-18(17)22-2)11-14-5-3-4-6-16(14)19/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKey
WJIRHUATTMPDPE-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

317.11826 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12554 173.6
[M+Na]+ 340.10748 182.0
[M-H]- 316.11098 179.3
[M+NH4]+ 335.15208 188.8
[M+K]+ 356.08142 176.3
[M+H-H2O]+ 300.11552 165.0
[M+HCOO]- 362.11646 187.8
[M+CH3COO]- 376.13211 184.5
[M+Na-2H]- 338.09293 177.1
[M]+ 317.11771 176.9
[M]- 317.11881 176.9
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