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 146.9
[M+Na]+ 243.05625 156.6
[M-H]- 219.05975 151.5
[M+NH4]+ 238.10085 167.7
[M+K]+ 259.03019 152.8
[M+H-H2O]+ 203.06429 141.0
[M+HCOO]- 265.06523 162.5
[M+CH3COO]- 279.08088 159.8
[M+Na-2H]- 241.04170 147.3
[M]+ 220.06648 147.0
[M]- 220.06758 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.