PubChemLite - Schembl2841273 (C24H27FN2O4)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NCC4CCCO4

InChI

InChI=1S/C24H27FN2O4/c1-14(2)30-21-11-18-20(12-19(21)27-13-17-5-4-10-29-17)31-23(22(18)24(28)26-3)15-6-8-16(25)9-7-15/h6-9,11-12,14,17,27H,4-5,10,13H2,1-3H3,(H,26,28)

InChIKey

GGYDDZKJISQJNI-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-N-methyl-6-(oxolan-2-ylmethylamino)-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]+	427.20278	204.2
[M+Na]+	449.18472	209.8
[M-H]-	425.18822	215.4
[M+NH4]+	444.22932	215.3
[M+K]+	465.15866	207.8
[M+H-H2O]+	409.19276	195.8
[M+HCOO]-	471.19370	224.2
[M+CH3COO]-	485.20935	233.5
[M+Na-2H]-	447.17017	202.0
[M]+	426.19495	207.7
[M]-	426.19605	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.20278

204.2

[M+Na]+

449.18472

209.8

[M-H]-

425.18822

215.4

[M+NH4]+

444.22932

215.3

[M+K]+

465.15866

207.8

[M+H-H2O]+

409.19276

195.8

[M+HCOO]-

471.19370

224.2

[M+CH3COO]-

485.20935

233.5

[M+Na-2H]-

447.17017

202.0

[M]+

426.19495

207.7

[M]-

426.19605

207.7

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

Schembl2841273

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe