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]+ 221.074306 146.9
[M+Na]+ 243.056248 156.6
[M-H]- 219.059754 151.5
[M+NH4]+ 238.100853 167.7
[M+K]+ 259.030188 152.8
[M+H-H2O]+ 203.064290 141.0
[M+HCOO]- 265.065231 162.5
[M+CH3COO]- 279.080881 159.8
[M+Na-2H]- 241.041696 147.3
[M]+ 220.06648142 147.0
[M]- 220.06757858 147.0
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.