CID 214531

33366-64-2

Structural Information

Molecular Formula
C44H59N3
SMILES
CCC(C)C(CCN1CCCC1)(CN=CC(CCN2CCCC2)(C3=CC=CC4=CC=CC=C43)C(C)CC)C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C44H59N3/c1-5-35(3)43(25-31-46-27-11-12-28-46,41-23-15-19-37-17-7-9-21-39(37)41)33-45-34-44(36(4)6-2,26-32-47-29-13-14-30-47)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
AIYJAJQZOFVVRL-UHFFFAOYSA-N
Compound name
3-methyl-N-[3-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

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.47818 263.2
[M+Na]+ 652.46012 259.1
[M-H]- 628.46362 272.0
[M+NH4]+ 647.50472 265.6
[M+K]+ 668.43406 250.3
[M+H-H2O]+ 612.46816 249.5
[M+HCOO]- 674.46910 270.5
[M+CH3COO]- 688.48475 264.1
[M+Na-2H]- 650.44557 256.1
[M]+ 629.47035 260.7
[M]- 629.47145 260.7
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.