CID 6437741

Einecs 274-368-8

Structural Information

Molecular Formula
C48H92N8
SMILES
CCCCCCC1C=CC(C(C1C/C=C/CCCCC)CCCCCCCC2=NCCN2CCNCCN)CCCCCCCC3=NCCN3CCNCCN
InChI
InChI=1S/C48H92N8/c1-3-5-7-9-13-19-25-45-43(23-17-8-6-4-2)29-30-44(24-18-12-10-15-21-27-47-53-37-41-55(47)39-35-51-33-31-49)46(45)26-20-14-11-16-22-28-48-54-38-42-56(48)40-36-52-34-32-50/h13,19,29-30,43-46,51-52H,3-12,14-18,20-28,31-42,49-50H2,1-2H3/b19-13+
InChIKey
MXIIKUOLNATQQB-CPNJWEJPSA-N
Compound name
N'-[2-[2-[7-[6-[7-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]heptyl]-4-hexyl-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]heptyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

780.7445 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.75178 292.8
[M+Na]+ 803.73372 282.3
[M-H]- 779.73722 290.9
[M+NH4]+ 798.77832 284.9
[M+K]+ 819.70766 271.7
[M+H-H2O]+ 763.74176 276.8
[M+HCOO]- 825.74270 301.1
[M+CH3COO]- 839.75835 309.2
[M+Na-2H]- 801.71917 277.5
[M]+ 780.74395 295.5
[M]- 780.74505 295.5
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.