PubChemLite - Schembl2879661 (C24H26F2N2O3)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCC(CC4)F

InChI

InChI=1S/C24H26F2N2O3/c1-14(2)30-21-12-18-20(13-19(21)28-10-8-17(26)9-11-28)31-23(22(18)24(29)27-3)15-4-6-16(25)7-5-15/h4-7,12-14,17H,8-11H2,1-3H3,(H,27,29)

InChIKey

YKODNCPKVAJBIV-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-6-(4-fluoropiperidin-1-yl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide

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]+	429.19844	204.5
[M+Na]+	451.18038	211.3
[M-H]-	427.18388	212.0
[M+NH4]+	446.22498	214.1
[M+K]+	467.15432	206.8
[M+H-H2O]+	411.18842	193.1
[M+HCOO]-	473.18936	219.6
[M+CH3COO]-	487.20501	232.8
[M+Na-2H]-	449.16583	201.1
[M]+	428.19061	204.1
[M]-	428.19171	204.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.19844

204.5

[M+Na]+

451.18038

211.3

[M-H]-

427.18388

212.0

[M+NH4]+

446.22498

214.1

[M+K]+

467.15432

206.8

[M+H-H2O]+

411.18842

193.1

[M+HCOO]-

473.18936

219.6

[M+CH3COO]-

487.20501

232.8

[M+Na-2H]-

449.16583

201.1

[M]+

428.19061

204.1

[M]-

428.19171

204.1

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

Schembl2879661

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe