CID 55430

Butanoic acid, 4-((4-(((aminooxacetyl)amino)sulfonyl)phenyl)amino)-4-oxo-, hydrazide

Structural Information

Molecular Formula

C₁₂H₁₅N₅O₆S

SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)NN)S(=O)(=O)NC(=O)C(=O)N

InChI

InChI=1S/C12H15N5O6S/c13-11(20)12(21)17-24(22,23)8-3-1-7(2-4-8)15-9(18)5-6-10(19)16-14/h1-4H,5-6,14H2,(H2,13,20)(H,15,18)(H,16,19)(H,17,21)

InChIKey

KKSPHBIBHJIHJQ-UHFFFAOYSA-N

Compound name

N'-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]sulfonyloxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 357.0743 Da
Monoisotopic Mass: -2.4
XlogP (predicted)

Profile

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]+	358.081576	175.3
[M+Na]+	380.063518	177.4
[M-H]-	356.067024	177.0
[M+NH4]+	375.108123	185.1
[M+K]+	396.037458	175.9
[M+H-H2O]+	340.071560	166.5
[M+HCOO]-	402.072501	193.4
[M+CH3COO]-	416.088151	220.3
[M+Na-2H]-	378.048966	176.3
[M]+	357.07375142	173.4
[M]-	357.07484858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.