CID 44648

1,7-bis(n-tetrahydroisoquinolyl)heptane dihydrochloride

Structural Information

Molecular Formula
C25H34N2
SMILES
C1CN(CC2=CC=CC=C21)CCCCCCCN3CCC4=CC=CC=C4C3
InChI
InChI=1S/C25H34N2/c1(2-8-16-26-18-14-22-10-4-6-12-24(22)20-26)3-9-17-27-19-15-23-11-5-7-13-25(23)21-27/h4-7,10-13H,1-3,8-9,14-21H2
InChIKey
YCNTWXGZBSKTFI-UHFFFAOYSA-N
Compound name
2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)heptyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2722 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.27948 193.5
[M+Na]+ 385.26142 195.3
[M-H]- 361.26492 195.8
[M+NH4]+ 380.30602 204.2
[M+K]+ 401.23536 187.5
[M+H-H2O]+ 345.26946 181.1
[M+HCOO]- 407.27040 204.7
[M+CH3COO]- 421.28605 199.7
[M+Na-2H]- 383.24687 195.7
[M]+ 362.27165 189.0
[M]- 362.27275 189.0
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.