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]+ 233.03793 147.9
[M+Na]+ 255.01987 159.2
[M-H]- 231.02337 153.6
[M+NH4]+ 250.06447 166.9
[M+K]+ 270.99381 155.5
[M+H-H2O]+ 215.02791 142.4
[M+HCOO]- 277.02885 164.7
[M+CH3COO]- 291.04450 161.3
[M+Na-2H]- 253.00532 149.7
[M]+ 232.03010 149.8
[M]- 232.03120 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.