CID 6449138

129228-62-2

Structural Information

Molecular Formula
C12H9N3O3S
SMILES
C1CSC2=N/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N21
InChI
InChI=1S/C12H9N3O3S/c16-11-10(13-12-14(11)5-6-19-12)7-8-1-3-9(4-2-8)15(17)18/h1-4,7H,5-6H2/b10-7+
InChIKey
VRZIDGJMVGHLNU-JXMROGBWSA-N
Compound name
(6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.03647 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.043746 161.1
[M+Na]+ 298.025688 169.4
[M-H]- 274.029194 167.1
[M+NH4]+ 293.070293 178.8
[M+K]+ 313.999628 161.3
[M+H-H2O]+ 258.033730 158.9
[M+HCOO]- 320.034671 178.7
[M+CH3COO]- 334.050321 188.0
[M+Na-2H]- 296.011136 163.2
[M]+ 275.03592142 159.8
[M]- 275.03701858 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.