PubChemLite - 4a0ug9nr9k (C25H45N6O8)

Structural Information

Molecular Formula

SMILES

CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)[O-])[O-])[O-]

InChI

InChI=1S/C25H45N6O8/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/h2-20,26H2,1H3,(H,27,33)(H,28,34)/q-3

InChIKey

ZTZKLNOYBOAHJQ-UHFFFAOYSA-N

Compound name

N-[5-[[4-[5-[acetyl(oxido)amino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentyl]-N'-(5-aminopentyl)-N'-oxidobutanediamide

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]+	558.33718	238.8
[M+Na]+	580.31912	249.4
[M-H]-	556.32262	245.8
[M+NH4]+	575.36372	249.5
[M+K]+	596.29306	256.0
[M+H-H2O]+	540.32716	227.7
[M+HCOO]-	602.32810	223.1
[M+CH3COO]-	616.34375	263.5
[M+Na-2H]-	578.30457	229.5
[M]+	557.32935	223.7
[M]-	557.33045	223.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

558.33718

238.8

[M+Na]+

580.31912

249.4

[M-H]-

556.32262

245.8

[M+NH4]+

575.36372

249.5

[M+K]+

596.29306

256.0

[M+H-H2O]+

540.32716

227.7

[M+HCOO]-

602.32810

223.1

[M+CH3COO]-

616.34375

263.5

[M+Na-2H]-

578.30457

229.5

[M]+

557.32935

223.7

[M]-

557.33045

223.7

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

4a0ug9nr9k

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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