CID 246940

Glyparamide

Structural Information

Molecular Formula

C₁₅H₁₆ClN₃O₃S

SMILES

CN(C)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H16ClN3O3S/c1-19(2)13-7-5-12(6-8-13)17-15(20)18-23(21,22)14-9-3-11(16)4-10-14/h3-10H,1-2H3,(H2,17,18,20)

InChIKey

SUQZXLUIKZXADU-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)sulfonyl-3-[4-(dimethylamino)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 385
Patents: 353.0601 Da
Monoisotopic Mass: 3.7
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]+	354.067376	178.2
[M+Na]+	376.049318	185.0
[M-H]-	352.052824	186.5
[M+NH4]+	371.093923	192.0
[M+K]+	392.023258	180.5
[M+H-H2O]+	336.057360	170.9
[M+HCOO]-	398.058301	194.5
[M+CH3COO]-	412.073951	216.8
[M+Na-2H]-	374.034766	181.9
[M]+	353.05955142	182.8
[M]-	353.06064858	182.8

Literature stripe

literature stripe

Patent stripe

patents stripe