CID 3067511

Brn 5175820

Structural Information

Molecular Formula
C19H28N4O7S
SMILES
CCCCCCCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCCO
InChI
InChI=1S/C19H28N4O7S/c1-2-3-4-5-6-11-20-16(25)18(27)22-14-7-9-15(10-8-14)31(29,30)23-19(28)17(26)21-12-13-24/h7-10,24H,2-6,11-13H2,1H3,(H,20,25)(H,21,26)(H,22,27)(H,23,28)
InChIKey
JEUJEZFVDCUUMX-UHFFFAOYSA-N
Compound name
N-heptyl-N'-[4-[[2-(2-hydroxyethylamino)-2-oxoacetyl]sulfamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.16788 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.17516 204.1
[M+Na]+ 479.15710 203.4
[M-H]- 455.16060 204.3
[M+NH4]+ 474.20170 210.2
[M+K]+ 495.13104 201.0
[M+H-H2O]+ 439.16514 194.8
[M+HCOO]- 501.16608 219.1
[M+CH3COO]- 515.18173 234.9
[M+Na-2H]- 477.14255 203.6
[M]+ 456.16733 206.8
[M]- 456.16843 206.8
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.