CID 1989

Acetohexamide

Structural Information

Molecular Formula
C15H20N2O4S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2
InChI
InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
InChIKey
VGZSUPCWNCWDAN-UHFFFAOYSA-N
Compound name
1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

298
References

26377
Patents

324.11438 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12166 171.6
[M+Na]+ 347.10360 178.7
[M+NH4]+ 342.14820 177.1
[M+K]+ 363.07754 173.2
[M-H]- 323.10710 173.4
[M+Na-2H]- 345.08905 176.2
[M]+ 324.11383 173.1
[M]- 324.11493 173.1
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