CID 6449140

129228-64-4

Structural Information

Molecular Formula
C12H9BrN2OS
SMILES
C1CSC2=N/C(=C/C3=CC=C(C=C3)Br)/C(=O)N21
InChI
InChI=1S/C12H9BrN2OS/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
POVSNMLHRUKQHN-JXMROGBWSA-N
Compound name
(6E)-6-[(4-bromophenyl)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

307.9619 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.96918 156.6
[M+Na]+ 330.95112 171.2
[M-H]- 306.95462 165.5
[M+NH4]+ 325.99572 178.6
[M+K]+ 346.92506 159.2
[M+H-H2O]+ 290.95916 157.6
[M+HCOO]- 352.96010 172.1
[M+CH3COO]- 366.97575 171.7
[M+Na-2H]- 328.93657 158.2
[M]+ 307.96135 176.5
[M]- 307.96245 176.5
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.