CID 86577829

Chembl3355090

Structural Information

Molecular Formula
C41H83N11O6
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C41H83N11O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-36(53)48-32(21-16-27-43)38(55)50-34(23-18-29-45)40(57)52-35(24-19-30-46)41(58)51-33(22-17-28-44)39(56)49-31(37(47)54)20-15-26-42/h31-35H,2-30,42-46H2,1H3,(H2,47,54)(H,48,53)(H,49,56)(H,50,55)(H,51,58)(H,52,57)
InChIKey
AZFQNOPBCOKLTK-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

825.6528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 826.66008 284.3
[M+Na]+ 848.64202 280.8
[M-H]- 824.64552 283.9
[M+NH4]+ 843.68662 285.3
[M+K]+ 864.61596 282.6
[M+H-H2O]+ 808.65006 264.2
[M+HCOO]- 870.65100 285.2
[M+CH3COO]- 884.66665 330.3
[M+Na-2H]- 846.62747 326.6
[M]+ 825.65225 317.3
[M]- 825.65335 317.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.