CID 3067492

Brn 5149231

Structural Information

Molecular Formula
C12H13N3O8S
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NO
InChI
InChI=1S/C12H13N3O8S/c1-2-23-12(19)11(18)13-7-3-5-8(6-4-7)24(21,22)15-10(17)9(16)14-20/h3-6,20H,2H2,1H3,(H,13,18)(H,14,16)(H,15,17)
InChIKey
PNUVRXHRNGVHAK-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[[2-(hydroxyamino)-2-oxoacetyl]sulfamoyl]anilino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.04233 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.04961 174.3
[M+Na]+ 382.03155 177.4
[M-H]- 358.03505 176.0
[M+NH4]+ 377.07615 184.6
[M+K]+ 398.00549 176.8
[M+H-H2O]+ 342.03959 166.5
[M+HCOO]- 404.04053 190.9
[M+CH3COO]- 418.05618 211.1
[M+Na-2H]- 380.01700 176.3
[M]+ 359.04178 176.9
[M]- 359.04288 176.9
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.