CID 3356

Flecainide

Structural Information

Molecular Formula

C₁₇H₂₀F₆N₂O₃

SMILES

C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)

InChIKey

DJBNUMBKLMJRSA-UHFFFAOYSA-N

Compound name

N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2367
References: 16459
Patents: 414.13782 Da
Monoisotopic Mass: 3.8
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]+	415.145096	191.7
[M+Na]+	437.127038	195.6
[M-H]-	413.130544	186.5
[M+NH4]+	432.171643	199.2
[M+K]+	453.100978	190.6
[M+H-H2O]+	397.135080	178.2
[M+HCOO]-	459.136021	199.0
[M+CH3COO]-	473.151671	221.0
[M+Na-2H]-	435.112486	191.1
[M]+	414.13727142	180.9
[M]-	414.13836858	180.9

Literature stripe

literature stripe

Patent stripe

patents stripe