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 206.6
[M+Na]+ 427.30837 207.0
[M-H]- 403.31187 208.2
[M+NH4]+ 422.35297 215.4
[M+K]+ 443.28231 198.5
[M+H-H2O]+ 387.31641 193.4
[M+HCOO]- 449.31735 216.6
[M+CH3COO]- 463.33300 211.3
[M+Na-2H]- 425.29382 207.1
[M]+ 404.31860 202.9
[M]- 404.31970 202.9
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.