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
2
Annotation Hits

10
References

318
Patents

324.15076 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.158036 160.8
[M+Na]+ 347.139978 163.9
[M-H]- 323.143484 163.4
[M+NH4]+ 342.184583 167.0
[M+K]+ 363.113918 163.3
[M+H-H2O]+ 307.148020 156.5
[M+HCOO]- 369.148961 167.5
[M+CH3COO]- 383.164611 232.6
[M+Na-2H]- 345.125426 160.0
[M]+ 324.15021142 159.3
[M]- 324.15130858 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

literature stripe

Patent stripe

patents stripe