PubChemLite - Schembl2835261 (C23H21FN2O5)

Structural Information

Molecular Formula

SMILES

CC1=NOC(=C1C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC)COC

InChI

InChI=1S/C23H21FN2O5/c1-12-20(19(11-28-3)31-26-12)15-10-18-16(9-17(15)29-4)21(23(27)25-2)22(30-18)13-5-7-14(24)8-6-13/h5-10H,11H2,1-4H3,(H,25,27)

InChIKey

YYMDFSOSUMFQQS-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-5-methoxy-6-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-N-methyl-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]+	425.15074	201.6
[M+Na]+	447.13268	212.4
[M-H]-	423.13618	213.3
[M+NH4]+	442.17728	212.5
[M+K]+	463.10662	210.3
[M+H-H2O]+	407.14072	192.9
[M+HCOO]-	469.14166	223.5
[M+CH3COO]-	483.15731	231.1
[M+Na-2H]-	445.11813	200.6
[M]+	424.14291	211.5
[M]-	424.14401	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.15074

201.6

[M+Na]+

447.13268

212.4

[M-H]-

423.13618

213.3

[M+NH4]+

442.17728

212.5

[M+K]+

463.10662

210.3

[M+H-H2O]+

407.14072

192.9

[M+HCOO]-

469.14166

223.5

[M+CH3COO]-

483.15731

231.1

[M+Na-2H]-

445.11813

200.6

[M]+

424.14291

211.5

[M]-

424.14401

211.5

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

Schembl2835261

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe