CID 841429

10080-05-4

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₃S

SMILES

C1CCC(CC1)NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H23N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,16,20,21)(H2,17,18,19)

InChIKey

NIMGDPRCIUIRNT-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-[2-(4-sulfamoylphenyl)ethyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2
Patents: 325.14603 Da
Monoisotopic Mass: 1.7
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]+	326.153306	172.4
[M+Na]+	348.135248	174.5
[M-H]-	324.138754	176.9
[M+NH4]+	343.179853	185.0
[M+K]+	364.109188	170.4
[M+H-H2O]+	308.143290	164.3
[M+HCOO]-	370.144231	187.8
[M+CH3COO]-	384.159881	209.5
[M+Na-2H]-	346.120696	174.5
[M]+	325.14548142	167.9
[M]-	325.14657858	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe