CID 9588316

Acetamide, n-(4-((5-((hydroxyamino)iminomethyl)-2-furanyl)sulfonyl)phenyl)-

Structural Information

Molecular Formula
C13H13N3O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)/C=N/NO
InChI
InChI=1S/C13H13N3O5S/c1-9(17)15-10-2-5-12(6-3-10)22(19,20)13-7-4-11(21-13)8-14-16-18/h2-8,16,18H,1H3,(H,15,17)/b14-8+
InChIKey
BJLYSUJSIQGOLV-RIYZIHGNSA-N
Compound name
N-[4-[5-[(E)-(hydroxyhydrazinylidene)methyl]furan-2-yl]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0576 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.064876 171.0
[M+Na]+ 346.046818 177.7
[M-H]- 322.050324 179.0
[M+NH4]+ 341.091423 184.8
[M+K]+ 362.020758 175.5
[M+H-H2O]+ 306.054860 163.5
[M+HCOO]- 368.055801 192.5
[M+CH3COO]- 382.071451 207.9
[M+Na-2H]- 344.032266 175.7
[M]+ 323.05705142 174.7
[M]- 323.05814858 174.7
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.