CID 466110

5-[2-(3-chlorophenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline

Structural Information

Molecular Formula
C17H18ClN
SMILES
C1CC(C2=C(C1)C=NC=C2)CCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H18ClN/c18-16-6-1-3-13(11-16)7-8-14-4-2-5-15-12-19-10-9-17(14)15/h1,3,6,9-12,14H,2,4-5,7-8H2
InChIKey
IVYKUYZSJUDEAS-UHFFFAOYSA-N
Compound name
5-[2-(3-chlorophenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11276 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12004 162.4
[M+Na]+ 294.10198 169.7
[M-H]- 270.10548 167.4
[M+NH4]+ 289.14658 179.0
[M+K]+ 310.07592 162.8
[M+H-H2O]+ 254.11002 154.0
[M+HCOO]- 316.11096 176.6
[M+CH3COO]- 330.12661 173.3
[M+Na-2H]- 292.08743 167.9
[M]+ 271.11221 161.7
[M]- 271.11331 161.7
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.