CID 134295

83526-33-4

Structural Information

Molecular Formula
C15H19F3N2O3
SMILES
C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)O)OCC(F)(F)F
InChI
InChI=1S/C15H19F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h4-5,7,10,19,21H,1-3,6,8-9H2,(H,20,22)
InChIKey
FVJPPEWHZCSTAC-UHFFFAOYSA-N
Compound name
5-hydroxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

198
Patents

332.13477 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14205 175.8
[M+Na]+ 355.12399 181.2
[M+NH4]+ 350.16859 178.7
[M+K]+ 371.09793 177.5
[M-H]- 331.12749 172.2
[M+Na-2H]- 353.10944 177.4
[M]+ 332.13422 174.8
[M]- 332.13532 174.8
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