CID 3070339

86346-84-1

Structural Information

Molecular Formula
C20H19F3N2OS
SMILES
C1CN2C(=N1)SC(C2(C3=CC(=CC=C3)C(F)(F)F)O)CCC4=CC=CC=C4
InChI
InChI=1S/C20H19F3N2OS/c21-20(22,23)16-8-4-7-15(13-16)19(26)17(27-18-24-11-12-25(18)19)10-9-14-5-2-1-3-6-14/h1-8,13,17,26H,9-12H2
InChIKey
VGHYFZNVGZGQFL-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-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

392.117 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12428 189.0
[M+Na]+ 415.10622 198.3
[M-H]- 391.10972 192.5
[M+NH4]+ 410.15082 204.4
[M+K]+ 431.08016 191.2
[M+H-H2O]+ 375.11426 179.3
[M+HCOO]- 437.11520 198.4
[M+CH3COO]- 451.13085 198.0
[M+Na-2H]- 413.09167 187.2
[M]+ 392.11645 186.9
[M]- 392.11755 186.9
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.