CID 45535

Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-, fumarate

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
COC1=C(C=C2CN(CCC2=C1)CCCC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C20H24ClNO2/c1-23-19-12-16-9-11-22(14-17(16)13-20(19)24-2)10-3-4-15-5-7-18(21)8-6-15/h5-8,12-13H,3-4,9-11,14H2,1-2H3
InChIKey
DMECLAZYQSKUEM-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-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]+ 346.15685 182.1
[M+Na]+ 368.13879 198.2
[M+NH4]+ 363.18339 191.3
[M+K]+ 384.11273 188.0
[M-H]- 344.14229 187.3
[M+Na-2H]- 366.12424 189.7
[M]+ 345.14902 186.4
[M]- 345.15012 186.4
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.