CID 16654922

Pre-bisucaberin

Structural Information

Molecular Formula
C18H34N4O7
SMILES
C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)O)O)O
InChI
InChI=1S/C18H34N4O7/c19-11-3-1-5-13-21(28)16(24)8-7-15(23)20-12-4-2-6-14-22(29)17(25)9-10-18(26)27/h28-29H,1-14,19H2,(H,20,23)(H,26,27)
InChIKey
BFOMYWUPLOKASM-UHFFFAOYSA-N
Compound name
4-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

418.24274 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25002 212.3
[M+Na]+ 441.23196 224.8
[M-H]- 417.23546 219.9
[M+NH4]+ 436.27656 216.4
[M+K]+ 457.20590 215.7
[M+H-H2O]+ 401.24000 211.7
[M+HCOO]- 463.24094 206.7
[M+CH3COO]- 477.25659 235.4
[M+Na-2H]- 439.21741 203.7
[M]+ 418.24219 201.9
[M]- 418.24329 201.9
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.