CID 99082

33310-57-5

Structural Information

Molecular Formula
C44H59N3
SMILES
CC(C)CC(CCN1CCCC1)(CN=CC(CCN2CCCC2)(CC(C)C)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C44H59N3/c1-35(2)31-43(23-29-46-25-9-10-26-46,41-21-13-17-37-15-5-7-19-39(37)41)33-45-34-44(32-36(3)4,24-30-47-27-11-12-28-47)42-22-14-18-38-16-6-8-20-40(38)42/h5-8,13-22,33,35-36H,9-12,23-32,34H2,1-4H3
InChIKey
RNIOMIKFOZKIOD-UHFFFAOYSA-N
Compound name
4-methyl-N-[4-methyl-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentyl]-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.4709 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.47818 264.4
[M+Na]+ 652.46012 274.8
[M+NH4]+ 647.50472 271.0
[M+K]+ 668.43406 267.3
[M-H]- 628.46362 272.1
[M+Na-2H]- 650.44557 271.0
[M]+ 629.47035 268.2
[M]- 629.47145 268.2
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.