CID 6474775

Schembl7339805

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CC1=C(SC2=NC=C(N12)C(/C=C/C3=CC=CC=C3)O)C
InChI
InChI=1S/C16H16N2OS/c1-11-12(2)20-16-17-10-14(18(11)16)15(19)9-8-13-6-4-3-5-7-13/h3-10,15,19H,1-2H3/b9-8+
InChIKey
JAQFNQPLJCWGKP-CMDGGOBGSA-N
Compound name
(E)-1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-phenylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.09833 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 166.3
[M+Na]+ 307.08755 177.6
[M-H]- 283.09105 171.8
[M+NH4]+ 302.13215 185.0
[M+K]+ 323.06149 171.9
[M+H-H2O]+ 267.09559 160.0
[M+HCOO]- 329.09653 183.6
[M+CH3COO]- 343.11218 178.8
[M+Na-2H]- 305.07300 165.2
[M]+ 284.09778 171.3
[M]- 284.09888 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.