CID 99080

33310-62-2

Structural Information

Molecular Formula
C46H63N3
SMILES
CCCCC(CCN1CCCCC1)(CN=CC(CCCC)(CCN2CCCCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C46H63N3/c1-3-5-27-45(29-35-48-31-13-7-14-32-48,43-25-17-21-39-19-9-11-23-41(39)43)37-47-38-46(28-6-4-2,30-36-49-33-15-8-16-34-49)44-26-18-22-40-20-10-12-24-42(40)44/h9-12,17-26,37H,3-8,13-16,27-36,38H2,1-2H3
InChIKey
ZFWIMSRPMRRWDY-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)hexyl]-2-(2-piperidin-1-ylethyl)hexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.5022 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.50948 277.6
[M+Na]+ 680.49142 290.4
[M+NH4]+ 675.53602 284.3
[M+K]+ 696.46536 276.0
[M-H]- 656.49492 286.7
[M+Na-2H]- 678.47687 285.5
[M]+ 657.50165 282.3
[M]- 657.50275 282.3
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.