CID 3067509

Brn 5159443

Structural Information

Molecular Formula
C13H16N4O7S
SMILES
CNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCCO
InChI
InChI=1S/C13H16N4O7S/c1-14-10(19)12(21)16-8-2-4-9(5-3-8)25(23,24)17-13(22)11(20)15-6-7-18/h2-5,18H,6-7H2,1H3,(H,14,19)(H,15,20)(H,16,21)(H,17,22)
InChIKey
CYNWJBJXURBCKJ-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(2-hydroxyethylamino)-2-oxoacetyl]sulfamoyl]phenyl]-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07397 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08125 179.4
[M+Na]+ 395.06319 181.3
[M-H]- 371.06669 180.7
[M+NH4]+ 390.10779 188.8
[M+K]+ 411.03713 180.0
[M+H-H2O]+ 355.07123 171.0
[M+HCOO]- 417.07217 196.3
[M+CH3COO]- 431.08782 217.4
[M+Na-2H]- 393.04864 181.2
[M]+ 372.07342 180.0
[M]- 372.07452 180.0
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.