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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.089966	148.3
[M+Na]+	245.071908	156.5
[M-H]-	221.075414	150.9
[M+NH4]+	240.116513	169.8
[M+K]+	261.045848	152.3
[M+H-H2O]+	205.079950	142.7
[M+HCOO]-	267.080891	161.0
[M+CH3COO]-	281.096541	159.9
[M+Na-2H]-	243.057356	149.4
[M]+	222.08214142	145.2
[M]-	222.08323858	145.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.