CID 467102

Schembl7330585

Structural Information

Molecular Formula
C15H16N2OS
SMILES
CC1=CSC2=NC=C(N12)C(CCC3=CC=CC=C3)O
InChI
InChI=1S/C15H16N2OS/c1-11-10-19-15-16-9-13(17(11)15)14(18)8-7-12-5-3-2-4-6-12/h2-6,9-10,14,18H,7-8H2,1H3
InChIKey
KNABOQCRZJGAGI-UHFFFAOYSA-N
Compound name
1-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 161.9
[M+Na]+ 295.08755 172.4
[M-H]- 271.09105 167.1
[M+NH4]+ 290.13215 180.7
[M+K]+ 311.06149 167.5
[M+H-H2O]+ 255.09559 155.4
[M+HCOO]- 317.09653 179.3
[M+CH3COO]- 331.11218 174.4
[M+Na-2H]- 293.07300 162.0
[M]+ 272.09778 166.9
[M]- 272.09888 166.9
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

patents stripe