PubChemLite - Funapide (C22H14F3NO5)

Structural Information

Molecular Formula

SMILES

C1[C@]2(C3=CC=CC=C3N(C2=O)CC4=CC=C(O4)C(F)(F)F)C5=CC6=C(C=C5O1)OCO6

InChI

InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1

InChIKey

NEBUOXBYNAHKFV-NRFANRHFSA-N

Compound name

(7S)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

Related CIDs

2D Structure

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]+	430.08968	190.8
[M+Na]+	452.07162	202.6
[M-H]-	428.07512	201.9
[M+NH4]+	447.11622	206.5
[M+K]+	468.04556	201.7
[M+H-H2O]+	412.07966	187.7
[M+HCOO]-	474.08060	203.2
[M+CH3COO]-	488.09625	202.3
[M+Na-2H]-	450.05707	189.8
[M]+	429.08185	195.0
[M]-	429.08295	195.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.08968

190.8

[M+Na]+

452.07162

202.6

[M-H]-

428.07512

201.9

[M+NH4]+

447.11622

206.5

[M+K]+

468.04556

201.7

[M+H-H2O]+

412.07966

187.7

[M+HCOO]-

474.08060

203.2

[M+CH3COO]-

488.09625

202.3

[M+Na-2H]-

450.05707

189.8

[M]+

429.08185

195.0

[M]-

429.08295

195.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Funapide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe