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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08158 175.5
[M+Na]+ 380.06352 176.8
[M+NH4]+ 375.10812 176.4
[M+K]+ 396.03746 176.4
[M-H]- 356.06702 173.3
[M+Na-2H]- 378.04897 175.7
[M]+ 357.07375 174.3
[M]- 357.07485 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.