CID 18497

Hydroxyhexamide

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₄S

SMILES

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

InChI

InChI=1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)

InChIKey

VQDAEOYLIBGCHE-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 6
Patents: 326.13004 Da
Monoisotopic Mass: 2.1
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]+	327.13732	172.6
[M+Na]+	349.11926	174.6
[M-H]-	325.12276	176.4
[M+NH4]+	344.16386	184.9
[M+K]+	365.09320	171.3
[M+H-H2O]+	309.12730	165.2
[M+HCOO]-	371.12824	185.4
[M+CH3COO]-	385.14389	205.5
[M+Na-2H]-	347.10471	173.8
[M]+	326.12949	168.9
[M]-	326.13059	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe