CID 467097

Schembl7335512

Structural Information

Molecular Formula
C16H18N2OS
SMILES
CC1=C(SC2=NC=C(N12)C(CCC3=CC=CC=C3)O)C
InChI
InChI=1S/C16H18N2OS/c1-11-12(2)20-16-17-10-14(18(11)16)15(19)9-8-13-6-4-3-5-7-13/h3-7,10,15,19H,8-9H2,1-2H3
InChIKey
WUUPRMVXYKRHPX-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylimidazo[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

286.11398 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 166.5
[M+Na]+ 309.10320 177.4
[M-H]- 285.10670 171.9
[M+NH4]+ 304.14780 185.0
[M+K]+ 325.07714 172.2
[M+H-H2O]+ 269.11124 160.1
[M+HCOO]- 331.11218 183.5
[M+CH3COO]- 345.12783 178.9
[M+Na-2H]- 307.08865 165.4
[M]+ 286.11343 172.2
[M]- 286.11453 172.2
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