PubChemLite - 108612-71-1 (C24H24F2N6O)

Structural Information

Molecular Formula

SMILES

CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=C(C=C(C=C4)F)F)C5=NC=CC(=O)N5

InChI

InChI=1S/C24H24F2N6O/c1-30(23-27-11-8-22(33)29-23)18-9-12-31(13-10-18)24-28-20-4-2-3-5-21(20)32(24)15-16-6-7-17(25)14-19(16)26/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,27,29,33)

InChIKey

AETINDVDVLWKHV-UHFFFAOYSA-N

Compound name

2-[[1-[1-[(2,4-difluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one

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]+	451.20525	209.2
[M+Na]+	473.18719	217.3
[M-H]-	449.19069	214.0
[M+NH4]+	468.23179	212.9
[M+K]+	489.16113	207.7
[M+H-H2O]+	433.19523	193.3
[M+HCOO]-	495.19617	221.2
[M+CH3COO]-	509.21182	215.4
[M+Na-2H]-	471.17264	208.3
[M]+	450.19742	205.4
[M]-	450.19852	205.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.20525

209.2

[M+Na]+

473.18719

217.3

[M-H]-

449.19069

214.0

[M+NH4]+

468.23179

212.9

[M+K]+

489.16113

207.7

[M+H-H2O]+

433.19523

193.3

[M+HCOO]-

495.19617

221.2

[M+CH3COO]-

509.21182

215.4

[M+Na-2H]-

471.17264

208.3

[M]+

450.19742

205.4

[M]-

450.19852

205.4

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

108612-71-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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