CID 98861

33310-58-6

Structural Information

Molecular Formula
C48H65N5
SMILES
C1CCN(C1)CCC(CCN2CCCC2)(CN=CC(CCN3CCCC3)(CCN4CCCC4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87
InChI
InChI=1S/C48H65N5/c1-3-19-43-41(15-1)17-13-21-45(43)47(23-35-50-27-5-6-28-50,24-36-51-29-7-8-30-51)39-49-40-48(25-37-52-31-9-10-32-52,26-38-53-33-11-12-34-53)46-22-14-18-42-16-2-4-20-44(42)46/h1-4,13-22,39H,5-12,23-38,40H2
InChIKey
LHQCWKZHNISZQH-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-4-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethyl)butyl]-4-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethyl)butan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

711.524 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.53128 259.8
[M+Na]+ 734.51322 252.4
[M-H]- 710.51672 271.9
[M+NH4]+ 729.55782 258.9
[M+K]+ 750.48716 244.2
[M+H-H2O]+ 694.52126 245.0
[M+HCOO]- 756.52220 264.2
[M+CH3COO]- 770.53785 258.9
[M+Na-2H]- 732.49867 247.1
[M]+ 711.52345 252.3
[M]- 711.52455 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.