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 166.9
[M+Na]+ 331.04714 173.1
[M-H]- 307.05064 175.5
[M+NH4]+ 326.09174 181.3
[M+K]+ 347.02108 171.0
[M+H-H2O]+ 291.05518 158.8
[M+HCOO]- 353.05612 190.4
[M+CH3COO]- 367.07177 207.8
[M+Na-2H]- 329.03259 172.6
[M]+ 308.05737 168.5
[M]- 308.05847 168.5
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.