CID 3067508

Brn 5154481

Structural Information

Molecular Formula
C12H14N4O7S
SMILES
C1=CC(=CC=C1NC(=O)C(=O)N)S(=O)(=O)NC(=O)C(=O)NCCO
InChI
InChI=1S/C12H14N4O7S/c13-9(18)10(19)15-7-1-3-8(4-2-7)24(22,23)16-12(21)11(20)14-5-6-17/h1-4,17H,5-6H2,(H2,13,18)(H,14,20)(H,15,19)(H,16,21)
InChIKey
WSAXATUWGPKMIU-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(2-hydroxyethylamino)-2-oxoacetyl]sulfamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.05832 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06560 175.0
[M+Na]+ 381.04754 177.3
[M-H]- 357.05104 175.9
[M+NH4]+ 376.09214 184.6
[M+K]+ 397.02148 175.8
[M+H-H2O]+ 341.05558 166.8
[M+HCOO]- 403.05652 191.5
[M+CH3COO]- 417.07217 214.7
[M+Na-2H]- 379.03299 176.2
[M]+ 358.05777 174.3
[M]- 358.05887 174.3
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.