CID 99083

31385-05-4

Structural Information

Molecular Formula
C44H59N3
SMILES
CCCCC(CCN1CCCC1)(CN=CC(CCCC)(CCN2CCCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C44H59N3/c1-3-5-25-43(27-33-46-29-11-12-30-46,41-23-15-19-37-17-7-9-21-39(37)41)35-45-36-44(26-6-4-2,28-34-47-31-13-14-32-47)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
KDHJSPKCPAVNNF-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hexyl]-2-(2-pyrrolidin-1-ylethyl)hexan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.4709 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.47818 267.5
[M+Na]+ 652.46012 278.7
[M+NH4]+ 647.50472 274.3
[M+K]+ 668.43406 269.4
[M-H]- 628.46362 275.5
[M+Na-2H]- 650.44557 274.4
[M]+ 629.47035 271.6
[M]- 629.47145 271.6
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.