CID 44646

1,10-bis(n-tetrahydroisoquinolyl)decane dihydrochloride

Structural Information

Molecular Formula
C28H40N2
SMILES
C1CN(CC2=CC=CC=C21)CCCCCCCCCCN3CCC4=CC=CC=C4C3
InChI
InChI=1S/C28H40N2/c1(3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29)2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30/h7-10,13-16H,1-6,11-12,17-24H2
InChIKey
VJWBVWNQBLXWOM-UHFFFAOYSA-N
Compound name
2-[10-(3,4-dihydro-1H-isoquinolin-2-yl)decyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.31915 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.32643 209.5
[M+Na]+ 427.30837 223.2
[M+NH4]+ 422.35297 218.5
[M+K]+ 443.28231 210.5
[M-H]- 403.31187 215.1
[M+Na-2H]- 425.29382 215.1
[M]+ 404.31860 213.2
[M]- 404.31970 213.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.