CID 86577218

Chembl3355091

Structural Information

Molecular Formula
C43H87N11O6
SMILES
CCCCCCCCCCCCCCCCCC(=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/C43H87N11O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-38(55)50-34(23-18-29-45)40(57)52-36(25-20-31-47)42(59)54-37(26-21-32-48)43(60)53-35(24-19-30-46)41(58)51-33(39(49)56)22-17-28-44/h33-37H,2-32,44-48H2,1H3,(H2,49,56)(H,50,55)(H,51,58)(H,52,57)(H,53,60)(H,54,59)
InChIKey
HMHDAYWYGSEWNG-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]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

853.6841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 854.69138 289.7
[M+Na]+ 876.67332 286.2
[M-H]- 852.67682 289.3
[M+NH4]+ 871.71792 290.6
[M+K]+ 892.64726 287.6
[M+H-H2O]+ 836.68136 269.4
[M+HCOO]- 898.68230 290.4
[M+CH3COO]- 912.69795 334.9
[M+Na-2H]- 874.65877 332.0
[M]+ 853.68355 322.4
[M]- 853.68465 322.4
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.