PubChemLite - Schembl2844926 (C23H25FN2O5S)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)S(=O)(=O)NC4CCC4

InChI

InChI=1S/C23H25FN2O5S/c1-13(2)30-19-11-17-18(12-20(19)32(28,29)26-16-5-4-6-16)31-22(21(17)23(27)25-3)14-7-9-15(24)10-8-14/h7-13,16,26H,4-6H2,1-3H3,(H,25,27)

InChIKey

WQELEYDQEZBRER-UHFFFAOYSA-N

Compound name

6-(cyclobutylsulfamoyl)-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]+	461.15410	207.3
[M+Na]+	483.13604	210.8
[M-H]-	459.13954	216.6
[M+NH4]+	478.18064	210.1
[M+K]+	499.10998	211.8
[M+H-H2O]+	443.14408	191.8
[M+HCOO]-	505.14502	220.8
[M+CH3COO]-	519.16067	238.5
[M+Na-2H]-	481.12149	206.1
[M]+	460.14627	220.9
[M]-	460.14737	220.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.15410

207.3

[M+Na]+

483.13604

210.8

[M-H]-

459.13954

216.6

[M+NH4]+

478.18064

210.1

[M+K]+

499.10998

211.8

[M+H-H2O]+

443.14408

191.8

[M+HCOO]-

505.14502

220.8

[M+CH3COO]-

519.16067

238.5

[M+Na-2H]-

481.12149

206.1

[M]+

460.14627

220.9

[M]-

460.14737

220.9

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

Schembl2844926

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe