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 209.7
[M+Na]+ 491.19347 211.1
[M+NH4]+ 486.23807 210.0
[M+K]+ 507.16741 207.7
[M-H]- 467.19697 207.3
[M+Na-2H]- 489.17892 209.2
[M]+ 468.20370 208.6
[M]- 468.20480 208.6
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.