CID 118753140

Chembl3526766

Structural Information

Molecular Formula

C₁₈H₁₅N₃O₄S

SMILES

C1=CC(=CC=C1CC2C(=O)NC(=O)S2)OCC3=NC4=C(N3)C=C(C=C4)O

InChI

InChI=1S/C18H15N3O4S/c22-11-3-6-13-14(8-11)20-16(19-13)9-25-12-4-1-10(2-5-12)7-15-17(23)21-18(24)26-15/h1-6,8,15,22H,7,9H2,(H,19,20)(H,21,23,24)

InChIKey

FYCNMUUDXCHKNR-UHFFFAOYSA-N

Compound name

5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 369.07834 Da
Monoisotopic Mass: 2.8
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]+	370.085616	183.2
[M+Na]+	392.067558	193.2
[M-H]-	368.071064	187.9
[M+NH4]+	387.112163	194.9
[M+K]+	408.041498	186.1
[M+H-H2O]+	352.075600	176.2
[M+HCOO]-	414.076541	195.8
[M+CH3COO]-	428.092191	192.8
[M+Na-2H]-	390.053006	181.1
[M]+	369.07779142	185.4
[M]-	369.07888858	185.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.