CID 467100

Schembl7897455

Structural Information

Molecular Formula
C15H16N2OS
SMILES
CC1=C(SC2=NC=C(N12)C(CC3=CC=CC=C3)O)C
InChI
InChI=1S/C15H16N2OS/c1-10-11(2)19-15-16-9-13(17(10)15)14(18)8-12-6-4-3-5-7-12/h3-7,9,14,18H,8H2,1-2H3
InChIKey
DNOYTBQOGDZJSB-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.09833 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 162.0
[M+Na]+ 295.08755 173.4
[M-H]- 271.09105 167.6
[M+NH4]+ 290.13215 181.1
[M+K]+ 311.06149 168.5
[M+H-H2O]+ 255.09559 155.8
[M+HCOO]- 317.09653 179.4
[M+CH3COO]- 331.11218 174.9
[M+Na-2H]- 293.07300 161.5
[M]+ 272.09778 167.4
[M]- 272.09888 167.4
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.