CID 2727

Chlorpropamide

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₃S

SMILES

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

InChI

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

InChIKey

RKWGIWYCVPQPMF-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)sulfonyl-3-propylurea

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1919
References: 55036
Patents: 276.03354 Da
Monoisotopic Mass: 2.3
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]+	277.04082	157.8
[M+Na]+	299.02276	165.3
[M-H]-	275.02626	161.7
[M+NH4]+	294.06736	174.7
[M+K]+	314.99670	160.6
[M+H-H2O]+	259.03080	152.3
[M+HCOO]-	321.03174	172.7
[M+CH3COO]-	335.04739	196.4
[M+Na-2H]-	297.00821	161.7
[M]+	276.03299	161.8
[M]-	276.03409	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe