CID 467101

Schembl7338080

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CC1=C(SC2=NC=C(N12)C(CCCC3=CC=CC=C3)O)C
InChI
InChI=1S/C17H20N2OS/c1-12-13(2)21-17-18-11-15(19(12)17)16(20)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11,16,20H,6,9-10H2,1-2H3
InChIKey
SVJRSZDSZZBSPN-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-4-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

300.12964 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13692 170.9
[M+Na]+ 323.11886 181.3
[M-H]- 299.12236 176.1
[M+NH4]+ 318.16346 188.9
[M+K]+ 339.09280 176.0
[M+H-H2O]+ 283.12690 164.3
[M+HCOO]- 345.12784 187.6
[M+CH3COO]- 359.14349 182.9
[M+Na-2H]- 321.10431 169.4
[M]+ 300.12909 176.9
[M]- 300.13019 176.9
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