PubChemLite - 6-(4,4-difluoro-1-piperidyl)-2-(4-fluorophenyl)-5-isopropoxy-n-methyl-benzofuran-3-carboxamide (C24H25F3N2O3)

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)F

InChI

InChI=1S/C24H25F3N2O3/c1-14(2)31-20-12-17-19(13-18(20)29-10-8-24(26,27)9-11-29)32-22(21(17)23(30)28-3)15-4-6-16(25)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,28,30)

InChIKey

CBVBEEINZVDGPH-UHFFFAOYSA-N

Compound name

6-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)-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]+	447.18901	206.8
[M+Na]+	469.17095	214.9
[M-H]-	445.17445	213.3
[M+NH4]+	464.21555	217.7
[M+K]+	485.14489	210.2
[M+H-H2O]+	429.17899	194.8
[M+HCOO]-	491.17993	220.9
[M+CH3COO]-	505.19558	234.9
[M+Na-2H]-	467.15640	204.0
[M]+	446.18118	205.8
[M]-	446.18228	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.18901

206.8

[M+Na]+

469.17095

214.9

[M-H]-

445.17445

213.3

[M+NH4]+

464.21555

217.7

[M+K]+

485.14489

210.2

[M+H-H2O]+

429.17899

194.8

[M+HCOO]-

491.17993

220.9

[M+CH3COO]-

505.19558

234.9

[M+Na-2H]-

467.15640

204.0

[M]+

446.18118

205.8

[M]-

446.18228

205.8

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

6-(4,4-difluoro-1-piperidyl)-2-(4-fluorophenyl)-5-isopropoxy-n-methyl-benzofuran-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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