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 260.2
[M+Na]+ 652.46012 254.1
[M-H]- 628.46362 266.3
[M+NH4]+ 647.50472 258.0
[M+K]+ 668.43406 245.0
[M+H-H2O]+ 612.46816 243.1
[M+HCOO]- 674.46910 262.4
[M+CH3COO]- 688.48475 259.0
[M+Na-2H]- 650.44557 257.3
[M]+ 629.47035 252.3
[M]- 629.47145 252.3
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.