CID 110208808

5-((e)-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl}methylidene)-2-morpholino-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C20H15ClF3N3O2S
SMILES
C1COCCN1C2=NC(=O)/C(=C\C3=CC=C(C=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl)/S2
InChI
InChI=1S/C20H15ClF3N3O2S/c21-15-10-14(20(22,23)24)11-25-17(15)13-3-1-12(2-4-13)9-16-18(28)26-19(30-16)27-5-7-29-8-6-27/h1-4,9-11H,5-8H2/b16-9+
InChIKey
JFSANVLFQAQBQF-CXUHLZMHSA-N
Compound name
(5E)-5-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.05255 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.05983 203.5
[M+Na]+ 476.04177 214.4
[M+NH4]+ 471.08637 207.8
[M+K]+ 492.01571 207.5
[M-H]- 452.04527 205.1
[M+Na-2H]- 474.02722 208.1
[M]+ 453.05200 205.9
[M]- 453.05310 205.9
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.