CID 86577751

N-[4-amino-1-[[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]decanamide

Structural Information

Molecular Formula
C30H61N9O5
SMILES
CCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C30H61N9O5/c1-2-3-4-5-6-7-8-17-26(40)36-23(14-10-19-32)28(42)38-25(16-12-21-34)30(44)39-24(15-11-20-33)29(43)37-22(27(35)41)13-9-18-31/h22-25H,2-21,31-34H2,1H3,(H2,35,41)(H,36,40)(H,37,43)(H,38,42)(H,39,44)
InChIKey
ZJRYUEVDNTXWMW-UHFFFAOYSA-N
Compound name
N-[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]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

627.47955 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.48683 227.8
[M+Na]+ 650.46877 245.8
[M-H]- 626.47227 242.7
[M+NH4]+ 645.51337 228.6
[M+K]+ 666.44271 238.0
[M+H-H2O]+ 610.47681 222.7
[M+HCOO]- 672.47775 202.2
[M+CH3COO]- 686.49340 292.7
[M+Na-2H]- 648.45422 288.7
[M]+ 627.47900 204.6
[M]- 627.48010 204.6
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.