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

16304
Patents

414.13782 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14510 191.7
[M+Na]+ 437.12704 195.6
[M-H]- 413.13054 186.5
[M+NH4]+ 432.17164 199.2
[M+K]+ 453.10098 190.6
[M+H-H2O]+ 397.13508 178.2
[M+HCOO]- 459.13602 199.0
[M+CH3COO]- 473.15167 221.0
[M+Na-2H]- 435.11249 191.1
[M]+ 414.13727 180.9
[M]- 414.13837 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.