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 177.0
[M+Na]+ 352.10748 187.0
[M-H]- 328.11098 183.3
[M+NH4]+ 347.15208 192.1
[M+K]+ 368.08142 181.0
[M+H-H2O]+ 312.11552 168.5
[M+HCOO]- 374.11646 192.4
[M+CH3COO]- 388.13211 211.1
[M+Na-2H]- 350.09293 180.3
[M]+ 329.11771 182.6
[M]- 329.11881 182.6
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.