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 175.3
[M+Na]+ 380.06352 177.4
[M-H]- 356.06702 177.0
[M+NH4]+ 375.10812 185.1
[M+K]+ 396.03746 175.9
[M+H-H2O]+ 340.07156 166.5
[M+HCOO]- 402.07250 193.4
[M+CH3COO]- 416.08815 220.3
[M+Na-2H]- 378.04897 176.3
[M]+ 357.07375 173.4
[M]- 357.07485 173.4
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.