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 264.1
[M+Na]+ 652.46012 260.7
[M-H]- 628.46362 272.6
[M+NH4]+ 647.50472 266.6
[M+K]+ 668.43406 250.6
[M+H-H2O]+ 612.46816 249.5
[M+HCOO]- 674.46910 273.3
[M+CH3COO]- 688.48475 265.1
[M+Na-2H]- 650.44557 258.6
[M]+ 629.47035 262.5
[M]- 629.47145 262.5
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.