CID 201228

3415-16-5

Structural Information

Molecular Formula
C17H19N3O3S2
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)CN4CCOCC4
InChI
InChI=1S/C17H19N3O3S2/c1-25(21,22)14-4-2-13(3-5-14)16-15(12-19-6-9-23-10-7-19)20-8-11-24-17(20)18-16/h2-5,8,11H,6-7,9-10,12H2,1H3
InChIKey
NVDWZHWMMDGUED-UHFFFAOYSA-N
Compound name
4-[[6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0868 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09408 185.8
[M+Na]+ 400.07602 196.8
[M-H]- 376.07952 194.2
[M+NH4]+ 395.12062 198.5
[M+K]+ 416.04996 192.5
[M+H-H2O]+ 360.08406 180.1
[M+HCOO]- 422.08500 194.9
[M+CH3COO]- 436.10065 196.4
[M+Na-2H]- 398.06147 185.1
[M]+ 377.08625 190.6
[M]- 377.08735 190.6
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.