CID 6449137

2,3-dihydro-6-(3-nitrobenzylidene)imidazo(2,1-b)thiazol-5(6h)-one

Structural Information

Molecular Formula
C12H9N3O3S
SMILES
C1CSC2=N/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)N21
InChI
InChI=1S/C12H9N3O3S/c16-11-10(13-12-14(11)4-5-19-12)7-8-2-1-3-9(6-8)15(17)18/h1-3,6-7H,4-5H2/b10-7+
InChIKey
PCDLCAYOTKHGDA-JXMROGBWSA-N
Compound name
(6E)-6-[(3-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]+ 276.04375 157.4
[M+Na]+ 298.02569 168.9
[M+NH4]+ 293.07029 165.2
[M+K]+ 313.99963 167.2
[M-H]- 274.02919 160.6
[M+Na-2H]- 296.01114 161.6
[M]+ 275.03592 160.0
[M]- 275.03702 160.0
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.