CID 3067520

Brn 5163596

Structural Information

Molecular Formula
C18H26N4O6S
SMILES
CCCCCCCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NC
InChI
InChI=1S/C18H26N4O6S/c1-3-4-5-6-7-12-20-16(24)17(25)21-13-8-10-14(11-9-13)29(27,28)22-18(26)15(23)19-2/h8-11H,3-7,12H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKey
BVCCKDPCMRYTLG-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(heptylamino)-2-oxoacetyl]amino]phenyl]sulfonyl-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.15732 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.164596 198.8
[M+Na]+ 449.146538 199.3
[M-H]- 425.150044 200.7
[M+NH4]+ 444.191143 206.9
[M+K]+ 465.120478 197.1
[M+H-H2O]+ 409.154580 189.6
[M+HCOO]- 471.155521 215.4
[M+CH3COO]- 485.171171 231.7
[M+Na-2H]- 447.131986 198.5
[M]+ 426.15677142 201.6
[M]- 426.15786858 201.6
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.