CID 11383075

Adx-47273

Structural Information

Molecular Formula
C20H17F2N3O2
SMILES
C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
InChIKey
VXQCCZHCFBHTTD-HNNXBMFYSA-N
Compound name
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

159
Patents

369.12888 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13616 186.6
[M+Na]+ 392.11810 193.8
[M-H]- 368.12160 193.2
[M+NH4]+ 387.16270 194.2
[M+K]+ 408.09204 188.3
[M+H-H2O]+ 352.12614 173.0
[M+HCOO]- 414.12708 200.3
[M+CH3COO]- 428.14273 195.2
[M+Na-2H]- 390.10355 185.1
[M]+ 369.12833 182.0
[M]- 369.12943 182.0
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