CID 207496

Brn 1696534

Structural Information

Molecular Formula
C44H59N3
SMILES
CC(C)C(CCN1CCCCC1)(CN=CC(CCN2CCCCC2)(C3=CC=CC4=CC=CC=C43)C(C)C)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C44H59N3/c1-35(2)43(25-31-46-27-11-5-12-28-46,41-23-15-19-37-17-7-9-21-39(37)41)33-45-34-44(36(3)4,26-32-47-29-13-6-14-30-47)42-24-16-20-38-18-8-10-22-40(38)42/h7-10,15-24,33,35-36H,5-6,11-14,25-32,34H2,1-4H3
InChIKey
UTMJCJOHNMZBJG-UHFFFAOYSA-N
Compound name
3-methyl-N-[3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butyl]-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butan-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 265.7
[M+Na]+ 652.46012 278.3
[M+NH4]+ 647.50472 272.7
[M+K]+ 668.43406 266.1
[M-H]- 628.46362 274.7
[M+Na-2H]- 650.44557 273.9
[M]+ 629.47035 270.4
[M]- 629.47145 270.4
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.