CID 16007367

Amg-517

Structural Information

Molecular Formula
C20H13F3N4O2S
SMILES
CC(=O)NC1=NC2=C(C=CC=C2S1)OC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
InChIKey
YUTIXVXZQIQWGY-UHFFFAOYSA-N
Compound name
N-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

278
Patents

430.07114 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.07842 191.6
[M+Na]+ 453.06036 203.1
[M+NH4]+ 448.10496 196.0
[M+K]+ 469.03430 197.1
[M-H]- 429.06386 191.9
[M+Na-2H]- 451.04581 198.7
[M]+ 430.07059 193.6
[M]- 430.07169 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe