CID 3067495

Brn 5155323

Structural Information

Molecular Formula
C15H19N3O7S
SMILES
CCCNC(=O)C(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)OCC
InChI
InChI=1S/C15H19N3O7S/c1-3-9-16-12(19)13(20)18-26(23,24)11-7-5-10(6-8-11)17-14(21)15(22)25-4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H,17,21)(H,18,20)
InChIKey
MJLIWYGDRWAIBW-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-[4-[[2-oxo-2-(propylamino)acetyl]sulfamoyl]anilino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.09436 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10164 185.0
[M+Na]+ 408.08358 188.5
[M+NH4]+ 403.12818 186.3
[M+K]+ 424.05752 186.5
[M-H]- 384.08708 182.2
[M+Na-2H]- 406.06903 185.6
[M]+ 385.09381 184.2
[M]- 385.09491 184.2
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.