PubChemLite - Glumetinib (C21H17N9O2S)

Structural Information

Molecular Formula

SMILES

CN1C=C(C=N1)C2=CN3C(=NC=C3S(=O)(=O)N4C5=C(C=N4)N=CC(=C5)C6=CN(N=C6)C)C=C2

InChI

InChI=1S/C21H17N9O2S/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17/h3-13H,1-2H3

InChIKey

RYBLECYFLJXEJX-UHFFFAOYSA-N

Compound name

6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,3-b]pyridine

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]+	460.12988	206.6
[M+Na]+	482.11182	223.7
[M-H]-	458.11532	217.0
[M+NH4]+	477.15642	214.1
[M+K]+	498.08576	217.1
[M+H-H2O]+	442.11986	199.6
[M+HCOO]-	504.12080	220.9
[M+CH3COO]-	518.13645	217.1
[M+Na-2H]-	480.09727	203.3
[M]+	459.12205	218.1
[M]-	459.12315	218.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.12988

206.6

[M+Na]+

482.11182

223.7

[M-H]-

458.11532

217.0

[M+NH4]+

477.15642

214.1

[M+K]+

498.08576

217.1

[M+H-H2O]+

442.11986

199.6

[M+HCOO]-

504.12080

220.9

[M+CH3COO]-

518.13645

217.1

[M+Na-2H]-

480.09727

203.3

[M]+

459.12205

218.1

[M]-

459.12315

218.1

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

Glumetinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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