CID 71543

68298-14-6

Structural Information

Molecular Formula
C34H78N10O2
SMILES
CCCCCCCCC(C(CCCCCCCC(=O)NCCNCCNCCNCCN)NCCNCCNCCNCCN)O
InChI
InChI=1S/C34H78N10O2/c1-2-3-4-5-8-11-14-33(45)32(43-30-28-41-26-24-39-22-20-37-18-16-35)13-10-7-6-9-12-15-34(46)44-31-29-42-27-25-40-23-21-38-19-17-36/h32-33,37-43,45H,2-31,35-36H2,1H3,(H,44,46)
InChIKey
LRSGPYSVXWNMKD-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-9-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-10-hydroxyoctadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

658.6309 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.63818 290.2
[M+Na]+ 681.62012 304.0
[M-H]- 657.62362 294.2
[M+NH4]+ 676.66472 278.7
[M+K]+ 697.59406 296.2
[M+H-H2O]+ 641.62816 279.4
[M+HCOO]- 703.62910 270.8
[M+CH3COO]- 717.64475 300.2
[M+Na-2H]- 679.60557 271.7
[M]+ 658.63035 265.0
[M]- 658.63145 265.0
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.