CID 42426

Isoquinoline, 3,4-dihydro-3-(o-chlorobenzyl)-6,7-dimethoxy-1-methyl-, hydrobromide

Structural Information

Molecular Formula
C19H20ClNO2
SMILES
CC1=NC(CC2=CC(=C(C=C12)OC)OC)CC3=CC=CC=C3Cl
InChI
InChI=1S/C19H20ClNO2/c1-12-16-11-19(23-3)18(22-2)10-14(16)9-15(21-12)8-13-6-4-5-7-17(13)20/h4-7,10-11,15H,8-9H2,1-3H3
InChIKey
OCTZJHUJBWJAML-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11826 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12554 176.5
[M+Na]+ 352.10748 194.1
[M+NH4]+ 347.15208 185.9
[M+K]+ 368.08142 184.1
[M-H]- 328.11098 182.0
[M+Na-2H]- 350.09293 185.1
[M]+ 329.11771 181.2
[M]- 329.11881 181.2
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.