CID 3067506

Brn 5175426

Structural Information

Molecular Formula
C20H28N4O6S
SMILES
CC(C)CNC(=O)C(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)NC2CCCCC2
InChI
InChI=1S/C20H28N4O6S/c1-13(2)12-21-17(25)20(28)24-31(29,30)16-10-8-15(9-11-16)23-19(27)18(26)22-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKey
HTRVREAYPAWWRW-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(cyclohexylamino)-2-oxoacetyl]amino]phenyl]sulfonyl-N-(2-methylpropyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.17294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18022 201.7
[M+Na]+ 475.16216 199.5
[M-H]- 451.16566 205.6
[M+NH4]+ 470.20676 208.0
[M+K]+ 491.13610 198.1
[M+H-H2O]+ 435.17020 192.7
[M+HCOO]- 497.17114 214.0
[M+CH3COO]- 511.18679 236.1
[M+Na-2H]- 473.14761 200.5
[M]+ 452.17239 198.6
[M]- 452.17349 198.6
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.