CID 3048923

Imidazo(2,1-b)thiazole, 5,6-dihydro-2-(methylsulfonyl)-3-phenyl-

Structural Information

Molecular Formula
C12H12N2O2S2
SMILES
CS(=O)(=O)C1=C(N2CCN=C2S1)C3=CC=CC=C3
InChI
InChI=1S/C12H12N2O2S2/c1-18(15,16)11-10(9-5-3-2-4-6-9)14-8-7-13-12(14)17-11/h2-6H,7-8H2,1H3
InChIKey
CFGYFYDSYIKANZ-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

280.03403 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.041306 163.2
[M+Na]+ 303.023248 175.1
[M-H]- 279.026754 169.5
[M+NH4]+ 298.067853 182.6
[M+K]+ 318.997188 170.7
[M+H-H2O]+ 263.031290 158.4
[M+HCOO]- 325.032231 175.2
[M+CH3COO]- 339.047881 175.9
[M+Na-2H]- 301.008696 163.5
[M]+ 280.03348142 167.6
[M]- 280.03457858 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe