CID 3067519

Brn 5161919

Structural Information

Molecular Formula
C17H22N4O6S
SMILES
CNC(=O)C(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)NC2CCCCC2
InChI
InChI=1S/C17H22N4O6S/c1-18-14(22)17(25)21-28(26,27)13-9-7-12(8-10-13)20-16(24)15(23)19-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
InChIKey
BPVALPNXJZEYSF-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(cyclohexylamino)-2-oxoacetyl]amino]phenyl]sulfonyl-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.126 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.13328 187.7
[M+Na]+ 433.11522 190.0
[M+NH4]+ 428.15982 189.8
[M+K]+ 449.08916 187.9
[M-H]- 409.11872 187.8
[M+Na-2H]- 431.10067 190.1
[M]+ 410.12545 187.4
[M]- 410.12655 187.4
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.