PubChemLite - Chebi:66067 (C23H44N6O7)

Structural Information

Molecular Formula

SMILES

C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCC=NO)O)O

InChI

InChI=1S/C23H44N6O7/c24-14-4-1-8-18-28(35)22(32)12-11-21(31)26-16-6-3-9-19-29(36)23(33)13-10-20(30)25-15-5-2-7-17-27-34/h17,34-36H,1-16,18-19,24H2,(H,25,30)(H,26,31)

InChIKey

RPHCJSPQKSVBSH-UHFFFAOYSA-N

Compound name

N'-(5-aminopentyl)-N'-hydroxy-N-[5-[hydroxy-[4-(5-hydroxyiminopentylamino)-4-oxobutanoyl]amino]pentyl]butanediamide

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]+	517.33443	236.5
[M+Na]+	539.31637	251.6
[M-H]-	515.31987	247.6
[M+NH4]+	534.36097	241.1
[M+K]+	555.29031	242.1
[M+H-H2O]+	499.32441	234.6
[M+HCOO]-	561.32535	227.5
[M+CH3COO]-	575.34100	260.7
[M+Na-2H]-	537.30182	226.4
[M]+	516.32660	222.3
[M]-	516.32770	222.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.33443

236.5

[M+Na]+

539.31637

251.6

[M-H]-

515.31987

247.6

[M+NH4]+

534.36097

241.1

[M+K]+

555.29031

242.1

[M+H-H2O]+

499.32441

234.6

[M+HCOO]-

561.32535

227.5

[M+CH3COO]-

575.34100

260.7

[M+Na-2H]-

537.30182

226.4

[M]+

516.32660

222.3

[M]-

516.32770

222.3

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

Chebi:66067

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe