CID 45521

Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-5,6-dimethoxy-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
CN1CCC2=C(C1CCC3=CC=C(C=C3)Cl)C=CC(=C2OC)OC
InChI
InChI=1S/C20H24ClNO2/c1-22-13-12-17-16(9-11-19(23-2)20(17)24-3)18(22)10-6-14-4-7-15(21)8-5-14/h4-5,7-9,11,18H,6,10,12-13H2,1-3H3
InChIKey
MESZECSYMVKJHI-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14957 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.156846 182.9
[M+Na]+ 368.138788 191.4
[M-H]- 344.142294 188.6
[M+NH4]+ 363.183393 197.3
[M+K]+ 384.112728 185.3
[M+H-H2O]+ 328.146830 174.2
[M+HCOO]- 390.147771 196.4
[M+CH3COO]- 404.163421 214.3
[M+Na-2H]- 366.124236 184.6
[M]+ 345.14902142 187.3
[M]- 345.15011858 187.3
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.