CID 3067503

Brn 5186119

Structural Information

Molecular Formula
C24H22N4O6S
SMILES
C1=CC=C(C=C1)CNC(=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C24H22N4O6S/c29-21(25-15-17-7-3-1-4-8-17)23(31)27-19-11-13-20(14-12-19)35(33,34)28-24(32)22(30)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKey
WJORNCOVIIHPOI-UHFFFAOYSA-N
Compound name
N-benzyl-N'-[4-[[2-(benzylamino)-2-oxoacetyl]sulfamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.126 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.13328 212.5
[M+Na]+ 517.11522 212.9
[M-H]- 493.11872 220.6
[M+NH4]+ 512.15982 216.8
[M+K]+ 533.08916 209.5
[M+H-H2O]+ 477.12326 201.7
[M+HCOO]- 539.12420 230.1
[M+CH3COO]- 553.13985 241.8
[M+Na-2H]- 515.10067 215.8
[M]+ 494.12545 212.7
[M]- 494.12655 212.7
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.