CID 2814228

Oprea1_157375

Structural Information

Molecular Formula

C₁₉H₂₃N₃O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C19H23N3O3S/c1-15-9-11-16(12-10-15)26(24,25)21-19(23)20-17-7-3-4-8-18(17)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,20,21,23)

InChIKey

KYQVGBQRDAJAGT-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)sulfonyl-3-(2-piperidin-1-ylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 373.14603 Da
Monoisotopic Mass: 4.1
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]+	374.153306	185.7
[M+Na]+	396.135248	189.2
[M-H]-	372.138754	192.8
[M+NH4]+	391.179853	195.4
[M+K]+	412.109188	184.0
[M+H-H2O]+	356.143290	176.0
[M+HCOO]-	418.144231	199.7
[M+CH3COO]-	432.159881	216.7
[M+Na-2H]-	394.120696	188.3
[M]+	373.14548142	182.6
[M]-	373.14657858	182.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.