CID 135399634

Chembl3104671

Structural Information

Molecular Formula
C11H8N2O2S
SMILES
C1C(=O)N/C(=C\C2=NC3=CC=CC=C3O2)/S1
InChI
InChI=1S/C11H8N2O2S/c14-9-6-16-11(13-9)5-10-12-7-3-1-2-4-8(7)15-10/h1-5H,6H2,(H,13,14)/b11-5+
InChIKey
MRJKHXFTRUAJBK-VZUCSPMQSA-N
Compound name
(2E)-2-(1,3-benzoxazol-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.03065 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.037926 147.9
[M+Na]+ 255.019868 159.2
[M-H]- 231.023374 153.6
[M+NH4]+ 250.064473 166.9
[M+K]+ 270.993808 155.5
[M+H-H2O]+ 215.027910 142.4
[M+HCOO]- 277.028851 164.7
[M+CH3COO]- 291.044501 161.3
[M+Na-2H]- 253.005316 149.7
[M]+ 232.03010142 149.8
[M]- 232.03119858 149.8
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.