PubChemLite - Desferrioxamine g (C27H50N6O10)

Structural Information

Molecular Formula

SMILES

C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)O)O)O)O

InChI

InChI=1S/C27H50N6O10/c28-16-4-1-7-19-31(41)24(36)12-10-22(34)29-17-5-2-8-20-32(42)25(37)13-11-23(35)30-18-6-3-9-21-33(43)26(38)14-15-27(39)40/h41-43H,1-21,28H2,(H,29,34)(H,30,35)(H,39,40)

InChIKey

MIVGUYBAQIHKPJ-UHFFFAOYSA-N

Compound name

4-[5-[[4-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	619.36608	242.8
[M+Na]+	641.34802	256.5
[M-H]-	617.35152	258.0
[M+NH4]+	636.39262	251.9
[M+K]+	657.32196	250.0
[M+H-H2O]+	601.35606	241.6
[M+HCOO]-	663.35700	224.5
[M+CH3COO]-	677.37265	277.9
[M+Na-2H]-	639.33347	232.7
[M]+	618.35825	229.7
[M]-	618.35935	229.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

619.36608

242.8

[M+Na]+

641.34802

256.5

[M-H]-

617.35152

258.0

[M+NH4]+

636.39262

251.9

[M+K]+

657.32196

250.0

[M+H-H2O]+

601.35606

241.6

[M+HCOO]-

663.35700

224.5

[M+CH3COO]-

677.37265

277.9

[M+Na-2H]-

639.33347

232.7

[M]+

618.35825

229.7

[M]-

618.35935

229.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Desferrioxamine g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe