CID 135398698

2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C10H6N2O2S2
SMILES
C1C(=O)N=C(S1)C2=NC3=C(S2)C=C(C=C3)O
InChI
InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2
InChIKey
JJVOROULKOMTKG-UHFFFAOYSA-N
Compound name
2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6057
Patents

249.98708 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99436 149.9
[M+Na]+ 272.97630 163.6
[M-H]- 248.97980 155.7
[M+NH4]+ 268.02090 170.2
[M+K]+ 288.95024 158.5
[M+H-H2O]+ 232.98434 145.5
[M+HCOO]- 294.98528 163.8
[M+CH3COO]- 309.00093 163.7
[M+Na-2H]- 270.96175 150.3
[M]+ 249.98653 154.9
[M]- 249.98763 154.9
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

patents stripe