CID 12628

Glycyclamide

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,15,16,17)

InChIKey

RIGBPMDIGYBTBJ-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-(4-methylphenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 26
References: 2980
Patents: 296.11948 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.126756	165.8
[M+Na]+	319.108698	169.3
[M-H]-	295.112204	171.3
[M+NH4]+	314.153303	180.3
[M+K]+	335.082638	165.8
[M+H-H2O]+	279.116740	158.3
[M+HCOO]-	341.117681	181.3
[M+CH3COO]-	355.133331	201.7
[M+Na-2H]-	317.094146	168.5
[M]+	296.11893142	162.7
[M]-	296.12002858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe