CID 3067512

Brn 5182357

Structural Information

Molecular Formula
C22H34N4O7S
SMILES
CCCCCCCCCCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCCO
InChI
InChI=1S/C22H34N4O7S/c1-2-3-4-5-6-7-8-9-14-23-19(28)21(30)25-17-10-12-18(13-11-17)34(32,33)26-22(31)20(29)24-15-16-27/h10-13,27H,2-9,14-16H2,1H3,(H,23,28)(H,24,29)(H,25,30)(H,26,31)
InChIKey
DWBDOJFBIJYVOH-UHFFFAOYSA-N
Compound name
N-decyl-N'-[4-[[2-(2-hydroxyethylamino)-2-oxoacetyl]sulfamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2148 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.22208 216.2
[M+Na]+ 521.20402 214.1
[M-H]- 497.20752 215.8
[M+NH4]+ 516.24862 220.8
[M+K]+ 537.17796 211.3
[M+H-H2O]+ 481.21206 206.4
[M+HCOO]- 543.21300 230.2
[M+CH3COO]- 557.22865 243.5
[M+Na-2H]- 519.18947 214.5
[M]+ 498.21425 220.0
[M]- 498.21535 220.0
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.