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]+ 427.16460 198.8
[M+Na]+ 449.14654 199.3
[M-H]- 425.15004 200.7
[M+NH4]+ 444.19114 206.9
[M+K]+ 465.12048 197.1
[M+H-H2O]+ 409.15458 189.6
[M+HCOO]- 471.15552 215.4
[M+CH3COO]- 485.17117 231.7
[M+Na-2H]- 447.13199 198.5
[M]+ 426.15677 201.6
[M]- 426.15787 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.