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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08562 185.0
[M+Na]+ 392.06756 197.2
[M+NH4]+ 387.11216 190.7
[M+K]+ 408.04150 193.2
[M-H]- 368.07106 187.1
[M+Na-2H]- 390.05301 189.6
[M]+ 369.07779 187.5
[M]- 369.07889 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.