CID 134501

Chlorisopropamide

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₃S

SMILES

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

InChI

InChI=1S/C10H13ClN2O3S/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,13,14)

InChIKey

PDOVTZKFRPAFHJ-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 276.03354 Da
Monoisotopic Mass: 2.0
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]+	277.040816	157.4
[M+Na]+	299.022758	164.6
[M-H]-	275.026264	161.4
[M+NH4]+	294.067363	174.3
[M+K]+	314.996698	160.5
[M+H-H2O]+	259.030800	152.2
[M+HCOO]-	321.031741	171.4
[M+CH3COO]-	335.047391	197.3
[M+Na-2H]-	297.008206	160.3
[M]+	276.03299142	160.9
[M]-	276.03408858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe