PubChemLite - Bms-986202 (C22H21FN6O3)

Structural Information

Molecular Formula

SMILES

[2H]C([2H])([2H])NC(=O)C1=CN=C(C=C1NC2=CC=CC(=C2OC)C3=NC=C(C=N3)F)NC(=O)C4CC4

InChI

InChI=1S/C22H21FN6O3/c1-24-22(31)15-11-25-18(29-21(30)12-6-7-12)8-17(15)28-16-5-3-4-14(19(16)32-2)20-26-9-13(23)10-27-20/h3-5,8-12H,6-7H2,1-2H3,(H,24,31)(H2,25,28,29,30)/i1D3

InChIKey

BBRMAVGRWHNAIG-FIBGUPNXSA-N

Compound name

6-(cyclopropanecarbonylamino)-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-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]+	440.19203	207.2
[M+Na]+	462.17397	213.7
[M-H]-	438.17747	214.8
[M+NH4]+	457.21857	206.5
[M+K]+	478.14791	206.3
[M+H-H2O]+	422.18201	194.4
[M+HCOO]-	484.18295	226.8
[M+CH3COO]-	498.19860	239.2
[M+Na-2H]-	460.15942	211.1
[M]+	439.18420	209.3
[M]-	439.18530	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.19203

207.2

[M+Na]+

462.17397

213.7

[M-H]-

438.17747

214.8

[M+NH4]+

457.21857

206.5

[M+K]+

478.14791

206.3

[M+H-H2O]+

422.18201

194.4

[M+HCOO]-

484.18295

226.8

[M+CH3COO]-

498.19860

239.2

[M+Na-2H]-

460.15942

211.1

[M]+

439.18420

209.3

[M]-

439.18530

209.3

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

Bms-986202

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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