CID 72094

Suclofenide

Structural Information

Molecular Formula

C₁₆H₁₃ClN₂O₄S

SMILES

C1C(C(=O)N(C1=O)C2=C(C=C(C=C2)S(=O)(=O)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2O4S/c17-13-8-11(24(18,22)23)6-7-14(13)19-15(20)9-12(16(19)21)10-4-2-1-3-5-10/h1-8,12H,9H2,(H2,18,22,23)

InChIKey

JUIHCCIFJCSFON-UHFFFAOYSA-N

Compound name

3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1125
Patents: 364.02844 Da
Monoisotopic Mass: 1.6
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]+	365.03572	182.3
[M+Na]+	387.01766	192.6
[M-H]-	363.02116	191.6
[M+NH4]+	382.06226	196.3
[M+K]+	402.99160	186.1
[M+H-H2O]+	347.02570	175.6
[M+HCOO]-	409.02664	194.7
[M+CH3COO]-	423.04229	210.6
[M+Na-2H]-	385.00311	181.5
[M]+	364.02789	185.3
[M]-	364.02899	185.3

Literature stripe

literature stripe

Patent stripe

patents stripe