CID 3067493

Brn 5143011

Structural Information

Molecular Formula
C13H15N3O7S
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NC
InChI
InChI=1S/C13H15N3O7S/c1-3-23-13(20)12(19)15-8-4-6-9(7-5-8)24(21,22)16-11(18)10(17)14-2/h4-7H,3H2,1-2H3,(H,14,17)(H,15,19)(H,16,18)
InChIKey
MHCMBZXVUQQWMD-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[[2-(methylamino)-2-oxoacetyl]sulfamoyl]anilino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.06308 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07036 177.0
[M+Na]+ 380.05230 180.8
[M+NH4]+ 375.09690 178.6
[M+K]+ 396.02624 179.2
[M-H]- 356.05580 174.2
[M+Na-2H]- 378.03775 177.9
[M]+ 357.06253 176.2
[M]- 357.06363 176.2
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.