CID 13953

Glyoctamide

Structural Information

Molecular Formula
C16H24N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCCCC2
InChI
InChI=1S/C16H24N2O3S/c1-13-9-11-15(12-10-13)22(20,21)18-16(19)17-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8H2,1H3,(H2,17,18,19)
InChIKey
XTOBSLUVJNOXGB-UHFFFAOYSA-N
Compound name
1-cyclooctyl-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

314
Patents

324.15076 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15804 160.8
[M+Na]+ 347.13998 163.9
[M-H]- 323.14348 163.4
[M+NH4]+ 342.18458 167.0
[M+K]+ 363.11392 163.3
[M+H-H2O]+ 307.14802 156.5
[M+HCOO]- 369.14896 167.5
[M+CH3COO]- 383.16461 232.6
[M+Na-2H]- 345.12543 160.0
[M]+ 324.15021 159.3
[M]- 324.15131 159.3
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.