PubChemLite - Capmatinib (C23H17FN6O)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F

InChI

InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)

InChIKey

LIOLIMKSCNQPLV-UHFFFAOYSA-N

Compound name

2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

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]+	413.15206	200.1
[M+Na]+	435.13400	210.8
[M-H]-	411.13750	204.9
[M+NH4]+	430.17860	206.7
[M+K]+	451.10794	201.3
[M+H-H2O]+	395.14204	186.0
[M+HCOO]-	457.14298	216.2
[M+CH3COO]-	471.15863	208.3
[M+Na-2H]-	433.11945	204.7
[M]+	412.14423	201.8
[M]-	412.14533	201.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.15206

200.1

[M+Na]+

435.13400

210.8

[M-H]-

411.13750

204.9

[M+NH4]+

430.17860

206.7

[M+K]+

451.10794

201.3

[M+H-H2O]+

395.14204

186.0

[M+HCOO]-

457.14298

216.2

[M+CH3COO]-

471.15863

208.3

[M+Na-2H]-

433.11945

204.7

[M]+

412.14423

201.8

[M]-

412.14533

201.8

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

Capmatinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe