CID 116175

(trans)-1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)cyclohexane dihydrochloride

Structural Information

Molecular Formula
C26H34N2
SMILES
C1CC(CCC1CN2CCC3=CC=CC=C3C2)CN4CCC5=CC=CC=C5C4
InChI
InChI=1S/C26H34N2/c1-3-7-25-19-27(15-13-23(25)5-1)17-21-9-11-22(12-10-21)18-28-16-14-24-6-2-4-8-26(24)20-28/h1-8,21-22H,9-20H2
InChIKey
QVJDYTCZGGJPMQ-UHFFFAOYSA-N
Compound name
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2722 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.27948 195.5
[M+Na]+ 397.26142 195.9
[M-H]- 373.26492 200.2
[M+NH4]+ 392.30602 204.9
[M+K]+ 413.23536 187.8
[M+H-H2O]+ 357.26946 181.7
[M+HCOO]- 419.27040 203.1
[M+CH3COO]- 433.28605 200.6
[M+Na-2H]- 395.24687 195.4
[M]+ 374.27165 184.5
[M]- 374.27275 184.5
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.