CID 248766

N4-maleylsulfanilamide

Structural Information

Molecular Formula
C10H10N2O5S
SMILES
C1=CC(=CC=C1NC(=O)C=CC(=O)O)S(=O)(=O)N
InChI
InChI=1S/C10H10N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)(H2,11,16,17)
InChIKey
XPUWNQCCZQOGTI-UHFFFAOYSA-N
Compound name
4-oxo-4-(4-sulfamoylanilino)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

270.03104 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03832 156.1
[M+Na]+ 293.02026 162.2
[M-H]- 269.02376 157.8
[M+NH4]+ 288.06486 170.7
[M+K]+ 308.99420 158.6
[M+H-H2O]+ 253.02830 149.6
[M+HCOO]- 315.02924 173.0
[M+CH3COO]- 329.04489 193.5
[M+Na-2H]- 291.00571 158.3
[M]+ 270.03049 156.0
[M]- 270.03159 156.0
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

patents stripe