CID 3067521

Brn 5170448

Structural Information

Molecular Formula
C21H32N4O6S
SMILES
CCCCCCCCCCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NC
InChI
InChI=1S/C21H32N4O6S/c1-3-4-5-6-7-8-9-10-15-23-19(27)20(28)24-16-11-13-17(14-12-16)32(30,31)25-21(29)18(26)22-2/h11-14H,3-10,15H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)(H,25,29)
InChIKey
GTNKUNASXBPFOE-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(decylamino)-2-oxoacetyl]amino]phenyl]sulfonyl-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.20425 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.21153 211.1
[M+Na]+ 491.19347 210.4
[M-H]- 467.19697 212.4
[M+NH4]+ 486.23807 217.6
[M+K]+ 507.16741 207.6
[M+H-H2O]+ 451.20151 201.5
[M+HCOO]- 513.20245 226.8
[M+CH3COO]- 527.21810 240.4
[M+Na-2H]- 489.17892 209.6
[M]+ 468.20370 215.1
[M]- 468.20480 215.1
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.