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 199.1
[M+Na]+ 471.09448 199.6
[M-H]- 447.09798 203.0
[M+NH4]+ 466.13908 204.9
[M+K]+ 487.06842 197.1
[M+H-H2O]+ 431.10252 189.4
[M+HCOO]- 493.10346 215.6
[M+CH3COO]- 507.11911 231.3
[M+Na-2H]- 469.07993 201.5
[M]+ 448.10471 199.5
[M]- 448.10581 199.5
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.