CID 155543824

Chembl4525809

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1CSC2(N1C[C@@H](N2)C3=CC=CC=C3)O
InChI
InChI=1S/C11H14N2OS/c14-11-12-10(8-13(11)6-7-15-11)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2/t10-,11?/m1/s1
InChIKey
JBYSGMHTZLJSKQ-NFJWQWPMSA-N
Compound name
(6S)-6-phenyl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-7a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 147.7
[M+Na]+ 245.07191 157.4
[M+NH4]+ 240.11651 158.2
[M+K]+ 261.04585 151.2
[M-H]- 221.07541 149.6
[M+Na-2H]- 243.05736 153.3
[M]+ 222.08214 150.0
[M]- 222.08324 150.0
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.