CID 3067494

Brn 5161648

Structural Information

Molecular Formula
C14H17N3O8S
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCCO
InChI
InChI=1S/C14H17N3O8S/c1-2-25-14(22)13(21)16-9-3-5-10(6-4-9)26(23,24)17-12(20)11(19)15-7-8-18/h3-6,18H,2,7-8H2,1H3,(H,15,19)(H,16,21)(H,17,20)
InChIKey
FMBMOJAEYXGSKZ-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[[2-(2-hydroxyethylamino)-2-oxoacetyl]sulfamoyl]anilino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.07364 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08092 182.9
[M+Na]+ 410.06286 185.1
[M-H]- 386.06636 184.1
[M+NH4]+ 405.10746 192.0
[M+K]+ 426.03680 184.1
[M+H-H2O]+ 370.07090 174.7
[M+HCOO]- 432.07184 198.8
[M+CH3COO]- 446.08749 217.0
[M+Na-2H]- 408.04831 184.0
[M]+ 387.07309 186.2
[M]- 387.07419 186.2
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.