CID 45519

Isoquinoline, 1,2,3,4-tetrahydro-1-(3-chlorophenethyl)-6,7-dimethoxy-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
CN1CCC2=CC(=C(C=C2C1CCC3=CC(=CC=C3)Cl)OC)OC
InChI
InChI=1S/C20H24ClNO2/c1-22-10-9-15-12-19(23-2)20(24-3)13-17(15)18(22)8-7-14-5-4-6-16(21)11-14/h4-6,11-13,18H,7-10H2,1-3H3
InChIKey
NAPNLIYYMIRDJN-UHFFFAOYSA-N
Compound name
1-[2-(3-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.14957 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15685 182.9
[M+Na]+ 368.13879 191.4
[M-H]- 344.14229 188.6
[M+NH4]+ 363.18339 197.3
[M+K]+ 384.11273 185.3
[M+H-H2O]+ 328.14683 174.2
[M+HCOO]- 390.14777 196.4
[M+CH3COO]- 404.16342 214.3
[M+Na-2H]- 366.12424 184.6
[M]+ 345.14902 187.3
[M]- 345.15012 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.