CID 35916

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

Structural Information

Molecular Formula
C18H20ClNO2
SMILES
COC1=C(C=C2CN(CCC2=C1)CC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C18H20ClNO2/c1-21-17-9-14-7-8-20(12-15(14)10-18(17)22-2)11-13-3-5-16(19)6-4-13/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKey
AEKAEVSJEHKTTE-UHFFFAOYSA-N
Compound name
2-[(4-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 172.9
[M+Na]+ 340.10748 189.4
[M+NH4]+ 335.15208 182.4
[M+K]+ 356.08142 179.7
[M-H]- 316.11098 178.2
[M+Na-2H]- 338.09293 181.1
[M]+ 317.11771 177.3
[M]- 317.11881 177.3
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