CID 18520

Alipamide

Structural Information

Molecular Formula

C₉H₁₂ClN₃O₃S

SMILES

CN(C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

InChI

InChI=1S/C9H12ClN3O3S/c1-13(2)12-9(14)6-3-4-7(10)8(5-6)17(11,15)16/h3-5H,1-2H3,(H,12,14)(H2,11,15,16)

InChIKey

NJYBZXINKWROMG-UHFFFAOYSA-N

Compound name

2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 430
Patents: 277.02878 Da
Monoisotopic Mass: 0.6
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]+	278.036056	157.2
[M+Na]+	300.017998	165.0
[M-H]-	276.021504	162.3
[M+NH4]+	295.062603	174.1
[M+K]+	315.991938	161.7
[M+H-H2O]+	260.026040	151.5
[M+HCOO]-	322.026981	173.1
[M+CH3COO]-	336.042631	203.2
[M+Na-2H]-	298.003446	159.7
[M]+	277.02823142	160.7
[M]-	277.02932858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe