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

2
Annotation Hits: 2
References: 198
Patents: 332.13477 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.14205	174.2
[M+Na]+	355.12399	177.9
[M-H]-	331.12749	171.8
[M+NH4]+	350.16859	184.5
[M+K]+	371.09793	173.3
[M+H-H2O]+	315.13203	163.7
[M+HCOO]-	377.13297	185.6
[M+CH3COO]-	391.14862	204.6
[M+Na-2H]-	353.10944	174.9
[M]+	332.13422	165.2
[M]-	332.13532	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe