CID 214489

33310-61-1

Structural Information

Molecular Formula
C44H59N3
SMILES
CCCC(CCN1CCCCC1)(CN=CC(CCC)(CCN2CCCCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C44H59N3/c1-3-25-43(27-33-46-29-11-5-12-30-46,41-23-15-19-37-17-7-9-21-39(37)41)35-45-36-44(26-4-2,28-34-47-31-13-6-14-32-47)42-24-16-20-38-18-8-10-22-40(38)42/h7-10,15-24,35H,3-6,11-14,25-34,36H2,1-2H3
InChIKey
SKOLWUSSWJHPOM-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentyl]-2-(2-piperidin-1-ylethyl)pentan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.4709 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.47818 269.2
[M+Na]+ 652.46012 282.5
[M+NH4]+ 647.50472 276.3
[M+K]+ 668.43406 268.5
[M-H]- 628.46362 278.5
[M+Na-2H]- 650.44557 277.7
[M]+ 629.47035 274.1
[M]- 629.47145 274.1
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.