CID 3074655

160518-42-3

Structural Information

Molecular Formula
C17H21ClN2OS
SMILES
CCCCCCOC1=C(C=C(C=C1)C2=CSC3=NCCN23)Cl
InChI
InChI=1S/C17H21ClN2OS/c1-2-3-4-5-10-21-16-7-6-13(11-14(16)18)15-12-22-17-19-8-9-20(15)17/h6-7,11-12H,2-5,8-10H2,1H3
InChIKey
XNJAMXDZOHUWET-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.10632 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11360 178.2
[M+Na]+ 359.09554 191.1
[M+NH4]+ 354.14014 187.3
[M+K]+ 375.06948 183.6
[M-H]- 335.09904 181.6
[M+Na-2H]- 357.08099 183.1
[M]+ 336.10577 181.8
[M]- 336.10687 181.8
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.