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 176.8
[M+Na]+ 380.05230 180.3
[M-H]- 356.05580 179.8
[M+NH4]+ 375.09690 188.1
[M+K]+ 396.02624 179.5
[M+H-H2O]+ 340.06034 168.8
[M+HCOO]- 402.06128 194.3
[M+CH3COO]- 416.07693 213.8
[M+Na-2H]- 378.03775 178.3
[M]+ 357.06253 180.2
[M]- 357.06363 180.2
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.