PubChemLite - Ag-024322 (C23H20F2N6)

Structural Information

Molecular Formula

SMILES

CCNCC1=CN=CC(=C1C)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=C(C=C5F)F

InChI

InChI=1S/C23H20F2N6/c1-3-26-9-14-10-27-11-17(12(14)2)13-4-5-19-16(6-13)21(31-30-19)23-28-20-8-15(24)7-18(25)22(20)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31)

InChIKey

MEKASOQEXYKAKM-UHFFFAOYSA-N

Compound name

N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-yl]methyl]ethanamine

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]+	419.17903	199.9
[M+Na]+	441.16097	212.8
[M-H]-	417.16447	202.8
[M+NH4]+	436.20557	208.1
[M+K]+	457.13491	201.3
[M+H-H2O]+	401.16901	187.5
[M+HCOO]-	463.16995	215.4
[M+CH3COO]-	477.18560	208.3
[M+Na-2H]-	439.14642	200.5
[M]+	418.17120	201.1
[M]-	418.17230	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.17903

199.9

[M+Na]+

441.16097

212.8

[M-H]-

417.16447

202.8

[M+NH4]+

436.20557

208.1

[M+K]+

457.13491

201.3

[M+H-H2O]+

401.16901

187.5

[M+HCOO]-

463.16995

215.4

[M+CH3COO]-

477.18560

208.3

[M+Na-2H]-

439.14642

200.5

[M]+

418.17120

201.1

[M]-

418.17230

201.1

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

Ag-024322

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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