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 161.1
[M+Na]+ 298.02569 169.4
[M-H]- 274.02919 167.1
[M+NH4]+ 293.07029 178.8
[M+K]+ 313.99963 161.3
[M+H-H2O]+ 258.03373 158.9
[M+HCOO]- 320.03467 178.7
[M+CH3COO]- 334.05032 188.0
[M+Na-2H]- 296.01114 163.2
[M]+ 275.03592 159.8
[M]- 275.03702 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.