CID 214490

Brn 1675095

Structural Information

Molecular Formula
C46H63N3
SMILES
CC(C)CC(CCN1CCCCC1)(CN=CC(CCN2CCCCC2)(CC(C)C)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C46H63N3/c1-37(2)33-45(25-31-48-27-11-5-12-28-48,43-23-15-19-39-17-7-9-21-41(39)43)35-47-36-46(34-38(3)4,26-32-49-29-13-6-14-30-49)44-24-16-20-40-18-8-10-22-42(40)44/h7-10,15-24,35,37-38H,5-6,11-14,25-34,36H2,1-4H3
InChIKey
KHYSPSOYEJNHLJ-UHFFFAOYSA-N
Compound name
4-methyl-N-[4-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentyl]-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.5022 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.50948 274.1
[M+Na]+ 680.49142 286.1
[M+NH4]+ 675.53602 280.6
[M+K]+ 696.46536 273.6
[M-H]- 656.49492 282.9
[M+Na-2H]- 678.47687 281.7
[M]+ 657.50165 278.6
[M]- 657.50275 278.6
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.