CID 3074653

160518-41-2

Structural Information

Molecular Formula
C16H19ClN2OS
SMILES
CCCCCOC1=C(C=C(C=C1)C2=CSC3=NCCN23)Cl
InChI
InChI=1S/C16H19ClN2OS/c1-2-3-4-9-20-15-6-5-12(10-13(15)17)14-11-21-16-18-7-8-19(14)16/h5-6,10-11H,2-4,7-9H2,1H3
InChIKey
GLTQBFUZBJKVGE-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09067 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09795 175.9
[M+Na]+ 345.07989 186.1
[M-H]- 321.08339 181.4
[M+NH4]+ 340.12449 194.3
[M+K]+ 361.05383 180.3
[M+H-H2O]+ 305.08793 169.1
[M+HCOO]- 367.08887 187.8
[M+CH3COO]- 381.10452 187.4
[M+Na-2H]- 343.06534 173.6
[M]+ 322.09012 182.8
[M]- 322.09122 182.8
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.