CID 9561088

5448-63-5

Structural Information

Molecular Formula
C11H11N3O3S
SMILES
C1=COC(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H11N3O3S/c12-9-3-5-11(6-4-9)18(15,16)14-13-8-10-2-1-7-17-10/h1-8,14H,12H2/b13-8+
InChIKey
UNDAOXRINNTJJZ-MDWZMJQESA-N
Compound name
4-amino-N-[(E)-furan-2-ylmethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05212 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05940 156.2
[M+Na]+ 288.04134 164.2
[M-H]- 264.04484 165.1
[M+NH4]+ 283.08594 173.0
[M+K]+ 304.01528 161.6
[M+H-H2O]+ 248.04938 148.9
[M+HCOO]- 310.05032 179.8
[M+CH3COO]- 324.06597 198.3
[M+Na-2H]- 286.02679 162.4
[M]+ 265.05157 158.4
[M]- 265.05267 158.4
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.