PubChemLite - Gsk3179106 (C22H21F4N3O4)

Structural Information

Molecular Formula

SMILES

CCOC1=CC(=O)NC=C1C2=CC(=C(C=C2)CC(=O)NC3=NOC(=C3)C(C)(C)C(F)(F)F)F

InChI

InChI=1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31)

InChIKey

IDXKJSSOUXWLDB-UHFFFAOYSA-N

Compound name

2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide

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]+	468.15410	208.3
[M+Na]+	490.13604	216.5
[M-H]-	466.13954	210.8
[M+NH4]+	485.18064	213.3
[M+K]+	506.10998	211.5
[M+H-H2O]+	450.14408	195.6
[M+HCOO]-	512.14502	220.4
[M+CH3COO]-	526.16067	233.8
[M+Na-2H]-	488.12149	208.0
[M]+	467.14627	207.4
[M]-	467.14737	207.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.15410

208.3

[M+Na]+

490.13604

216.5

[M-H]-

466.13954

210.8

[M+NH4]+

485.18064

213.3

[M+K]+

506.10998

211.5

[M+H-H2O]+

450.14408

195.6

[M+HCOO]-

512.14502

220.4

[M+CH3COO]-

526.16067

233.8

[M+Na-2H]-

488.12149

208.0

[M]+

467.14627

207.4

[M]-

467.14737

207.4

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

Gsk3179106

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe