PubChemLite - 3,4,3-li(1,2-hopo) (C34H38N8O12)

Structural Information

Molecular Formula

SMILES

C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O

InChI

InChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-16,51-54H,1-2,7-8,17-22H2,(H,35,47)(H,36,48)

InChIKey

KUWKQASGHNTJAT-UHFFFAOYSA-N

Compound name

1-hydroxy-N-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl]amino]propyl]-6-oxopyridine-2-carboxamide

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]+	751.26818	256.7
[M+Na]+	773.25012	259.9
[M-H]-	749.25362	253.3
[M+NH4]+	768.29472	257.5
[M+K]+	789.22406	245.7
[M+H-H2O]+	733.25816	235.0
[M+HCOO]-	795.25910	258.7
[M+CH3COO]-	809.27475	262.0
[M+Na-2H]-	771.23557	274.9
[M]+	750.26035	284.3
[M]-	750.26145	284.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

751.26818

256.7

[M+Na]+

773.25012

259.9

[M-H]-

749.25362

253.3

[M+NH4]+

768.29472

257.5

[M+K]+

789.22406

245.7

[M+H-H2O]+

733.25816

235.0

[M+HCOO]-

795.25910

258.7

[M+CH3COO]-

809.27475

262.0

[M+Na-2H]-

771.23557

274.9

[M]+

750.26035

284.3

[M]-

750.26145

284.3

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

3,4,3-li(1,2-hopo)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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