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 148.3
[M+Na]+ 245.07191 156.5
[M-H]- 221.07541 150.9
[M+NH4]+ 240.11651 169.8
[M+K]+ 261.04585 152.3
[M+H-H2O]+ 205.07995 142.7
[M+HCOO]- 267.08089 161.0
[M+CH3COO]- 281.09654 159.9
[M+Na-2H]- 243.05736 149.4
[M]+ 222.08214 145.2
[M]- 222.08324 145.2
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.