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 183.2
[M+Na]+ 392.06756 193.2
[M-H]- 368.07106 187.9
[M+NH4]+ 387.11216 194.9
[M+K]+ 408.04150 186.1
[M+H-H2O]+ 352.07560 176.2
[M+HCOO]- 414.07654 195.8
[M+CH3COO]- 428.09219 192.8
[M+Na-2H]- 390.05301 181.1
[M]+ 369.07779 185.4
[M]- 369.07889 185.4
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.