PubChemLite - Schembl2837509 (C23H27FN2O6S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H27FN2O6S/c1-14(2)31-20-12-17-19(13-18(20)26(10-11-30-4)33(5,28)29)32-22(21(17)23(27)25-3)15-6-8-16(24)9-7-15/h6-9,12-14H,10-11H2,1-5H3,(H,25,27)

InChIKey

JFXJWXOEUIJFPA-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-6-[2-methoxyethyl(methylsulfonyl)amino]-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]+	479.16466	213.9
[M+Na]+	501.14660	220.7
[M-H]-	477.15010	222.7
[M+NH4]+	496.19120	223.7
[M+K]+	517.12054	219.7
[M+H-H2O]+	461.15464	205.1
[M+HCOO]-	523.15558	230.4
[M+CH3COO]-	537.17123	243.7
[M+Na-2H]-	499.13205	213.7
[M]+	478.15683	225.2
[M]-	478.15793	225.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.16466

213.9

[M+Na]+

501.14660

220.7

[M-H]-

477.15010

222.7

[M+NH4]+

496.19120

223.7

[M+K]+

517.12054

219.7

[M+H-H2O]+

461.15464

205.1

[M+HCOO]-

523.15558

230.4

[M+CH3COO]-

537.17123

243.7

[M+Na-2H]-

499.13205

213.7

[M]+

478.15683

225.2

[M]-

478.15793

225.2

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

Schembl2837509

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe