CID 3067513

Brn 5180589

Structural Information

Molecular Formula
C19H20N4O7S
SMILES
C1=CC=C(C=C1)CNC(=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C(=O)NCCO
InChI
InChI=1S/C19H20N4O7S/c24-11-10-20-17(26)19(28)23-31(29,30)15-8-6-14(7-9-15)22-18(27)16(25)21-12-13-4-2-1-3-5-13/h1-9,24H,10-12H2,(H,20,26)(H,21,25)(H,22,27)(H,23,28)
InChIKey
FSQODSKIDMXXBP-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(benzylamino)-2-oxoacetyl]amino]phenyl]sulfonyl-N-(2-hydroxyethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.10526 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11254 197.4
[M+Na]+ 471.09448 201.0
[M+NH4]+ 466.13908 198.3
[M+K]+ 487.06842 198.6
[M-H]- 447.09798 197.1
[M+Na-2H]- 469.07993 200.7
[M]+ 448.10471 197.2
[M]- 448.10581 197.2
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.