CID 155543807

Chembl4525808

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C1[C@@H](N=C2N1CC(S2)O)C3=CC=CC=C3
InChI
InChI=1S/C11H12N2OS/c14-10-7-13-6-9(12-11(13)15-10)8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2/t9-,10?/m1/s1
InChIKey
JSXCIKSXIVBFOH-YHMJZVADSA-N
Compound name
(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 146.6
[M+Na]+ 243.05625 158.1
[M+NH4]+ 238.10085 156.1
[M+K]+ 259.03019 153.3
[M-H]- 219.05975 149.4
[M+Na-2H]- 241.04170 151.8
[M]+ 220.06648 149.4
[M]- 220.06758 149.4
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

No patent data available for this compound.