CID 3070351

86346-90-9

Structural Information

Molecular Formula
C20H20N2O3S
SMILES
C1CN2C(=N1)SC(C2(C3=CC4=C(C=C3)OCO4)O)CCC5=CC=CC=C5
InChI
InChI=1S/C20H20N2O3S/c23-20(15-7-8-16-17(12-15)25-13-24-16)18(26-19-21-10-11-22(19)20)9-6-14-4-2-1-3-5-14/h1-5,7-8,12,18,23H,6,9-11,13H2
InChIKey
LQFAAOFLJHCWBK-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-2-(2-phenylethyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11948 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12676 181.1
[M+Na]+ 391.10870 193.2
[M+NH4]+ 386.15330 191.3
[M+K]+ 407.08264 188.5
[M-H]- 367.11220 188.2
[M+Na-2H]- 389.09415 186.5
[M]+ 368.11893 185.5
[M]- 368.12003 185.5
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.