CID 9589553

2-furaldehyde, 4-(p-sulfamoylphenyl)semicarbazone

Structural Information

Molecular Formula
C12H12N4O4S
SMILES
C1=COC(=C1)/C=N/NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C12H12N4O4S/c13-21(18,19)11-5-3-9(4-6-11)15-12(17)16-14-8-10-2-1-7-20-10/h1-8H,(H2,13,18,19)(H2,15,16,17)/b14-8+
InChIKey
KLZUBLGZFBPTBG-RIYZIHGNSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05792 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06520 168.5
[M+Na]+ 331.04714 175.3
[M+NH4]+ 326.09174 173.4
[M+K]+ 347.02108 172.2
[M-H]- 307.05064 172.4
[M+Na-2H]- 329.03259 173.6
[M]+ 308.05737 170.4
[M]- 308.05847 170.4
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.