CID 3067491

Brn 5133956

Structural Information

Molecular Formula
C12H13N3O7S
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)N
InChI
InChI=1S/C12H13N3O7S/c1-2-22-12(19)11(18)14-7-3-5-8(6-4-7)23(20,21)15-10(17)9(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,18)(H,15,17)
InChIKey
AYKZZOXKNBUYHF-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(oxamoylsulfamoyl)anilino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.04742 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05470 172.5
[M+Na]+ 366.03664 176.3
[M-H]- 342.04014 175.1
[M+NH4]+ 361.08124 184.0
[M+K]+ 382.01058 175.4
[M+H-H2O]+ 326.04468 164.7
[M+HCOO]- 388.04562 189.7
[M+CH3COO]- 402.06127 211.0
[M+Na-2H]- 364.02209 173.4
[M]+ 343.04687 174.6
[M]- 343.04797 174.6
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.