CID 42423

Isoquinoline, 3,4-dihydro-3-(p-chlorobenzyl)-6,7-dimethoxy-, hydrobromide

Structural Information

Molecular Formula
C18H18ClNO2
SMILES
COC1=C(C=C2C=NC(CC2=C1)CC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C18H18ClNO2/c1-21-17-9-13-8-16(7-12-3-5-15(19)6-4-12)20-11-14(13)10-18(17)22-2/h3-6,9-11,16H,7-8H2,1-2H3
InChIKey
OTOJFLVAMSEWCP-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1026 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10988 171.9
[M+Na]+ 338.09182 189.4
[M+NH4]+ 333.13642 181.5
[M+K]+ 354.06576 179.4
[M-H]- 314.09532 177.4
[M+Na-2H]- 336.07727 181.0
[M]+ 315.10205 176.6
[M]- 315.10315 176.6
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.