CID 2973

Deferoxamine

Structural Information

Molecular Formula
C25H48N6O8
SMILES
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
InChI
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
InChIKey
UBQYURCVBFRUQT-UHFFFAOYSA-N
Compound name
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

8484
References

38132
Patents

560.35333 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.36061 247.4
[M+Na]+ 583.34255 263.6
[M+NH4]+ 578.38715 257.7
[M+K]+ 599.31649 259.0
[M-H]- 559.34605 260.0
[M+Na-2H]- 581.32800 256.8
[M]+ 560.35278 254.2
[M]- 560.35388 254.2
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

patents stripe