CID 45525

Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethyl-2-methyl-, hydrobromide

Structural Information

Molecular Formula
C20H24ClN
SMILES
CC1=CC2=C(C=C1C)C(N(CC2)C)CCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN/c1-14-12-17-10-11-22(3)20(19(17)13-15(14)2)9-6-16-4-7-18(21)8-5-16/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3
InChIKey
CJIVXZQIDSYBBS-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.15973 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16701 176.5
[M+Na]+ 336.14895 185.3
[M-H]- 312.15245 182.1
[M+NH4]+ 331.19355 192.3
[M+K]+ 352.12289 177.8
[M+H-H2O]+ 296.15699 168.2
[M+HCOO]- 358.15793 189.7
[M+CH3COO]- 372.17358 187.2
[M+Na-2H]- 334.13440 178.1
[M]+ 313.15918 178.0
[M]- 313.16028 178.0
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.