CID 135753731

380193-87-3

Structural Information

Molecular Formula
C11H8N2OS2
SMILES
C1C(=O)N/C(=C\C2=NC3=CC=CC=C3S2)/S1
InChI
InChI=1S/C11H8N2OS2/c14-9-6-15-10(13-9)5-11-12-7-3-1-2-4-8(7)16-11/h1-5H,6H2,(H,13,14)/b10-5+
InChIKey
XJWRTKVKIVPNKO-BJMVGYQFSA-N
Compound name
(2E)-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.00781 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01509 151.8
[M+Na]+ 270.99703 163.9
[M-H]- 247.00053 156.8
[M+NH4]+ 266.04163 172.0
[M+K]+ 286.97097 157.9
[M+H-H2O]+ 231.00507 147.1
[M+HCOO]- 293.00601 164.0
[M+CH3COO]- 307.02166 164.6
[M+Na-2H]- 268.98248 151.2
[M]+ 248.00726 153.3
[M]- 248.00836 153.3
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.