CID 9588316

Brn 4536845

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]+ 324.06488 171.0
[M+Na]+ 346.04682 177.7
[M-H]- 322.05032 179.0
[M+NH4]+ 341.09142 184.8
[M+K]+ 362.02076 175.5
[M+H-H2O]+ 306.05486 163.5
[M+HCOO]- 368.05580 192.5
[M+CH3COO]- 382.07145 207.9
[M+Na-2H]- 344.03227 175.7
[M]+ 323.05705 174.7
[M]- 323.05815 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.