CID 6449139

129228-63-3

Structural Information

Molecular Formula
C12H9ClN2OS
SMILES
C1CSC2=N/C(=C/C3=CC=C(C=C3)Cl)/C(=O)N21
InChI
InChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-5-6-17-12(15)14-10/h1-4,7H,5-6H2/b10-7+
InChIKey
OMWVQYRUAQMEGW-JXMROGBWSA-N
Compound name
(6E)-6-[(4-chlorophenyl)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

264.01242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01970 159.4
[M+Na]+ 287.00164 171.1
[M-H]- 263.00514 165.4
[M+NH4]+ 282.04624 180.0
[M+K]+ 302.97558 165.2
[M+H-H2O]+ 247.00968 153.6
[M+HCOO]- 309.01062 171.6
[M+CH3COO]- 323.02627 172.2
[M+Na-2H]- 284.98709 158.1
[M]+ 264.01187 162.2
[M]- 264.01297 162.2
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.