CID 3070345

86346-87-4

Structural Information

Molecular Formula
C20H22N2O2S
SMILES
COC1=CC=CC=C1C2(C(SC3=NCCN32)CCC4=CC=CC=C4)O
InChI
InChI=1S/C20H22N2O2S/c1-24-17-10-6-5-9-16(17)20(23)18(25-19-21-13-14-22(19)20)12-11-15-7-3-2-4-8-15/h2-10,18,23H,11-14H2,1H3
InChIKey
JWRHRMFMAGMFMD-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-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

354.1402 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14748 183.2
[M+Na]+ 377.12942 191.8
[M-H]- 353.13292 190.6
[M+NH4]+ 372.17402 200.1
[M+K]+ 393.10336 186.1
[M+H-H2O]+ 337.13746 175.6
[M+HCOO]- 399.13840 197.5
[M+CH3COO]- 413.15405 193.6
[M+Na-2H]- 375.11487 182.2
[M]+ 354.13965 185.9
[M]- 354.14075 185.9
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

No patent data available for this compound.