PubChemLite - 108635-82-1 (C23H24FN7O)

Structural Information

Molecular Formula

SMILES

CN(C1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)N=CC=C3)C5=NC=CC(=O)N5

InChI

InChI=1S/C23H24FN7O/c1-29(22-26-12-8-20(32)28-22)18-9-13-30(14-10-18)23-27-19-3-2-11-25-21(19)31(23)15-16-4-6-17(24)7-5-16/h2-8,11-12,18H,9-10,13-15H2,1H3,(H,26,28,32)

InChIKey

RQJJBKABYTVPPP-UHFFFAOYSA-N

Compound name

2-[[1-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-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]+	434.20992	204.7
[M+Na]+	456.19186	212.3
[M-H]-	432.19536	209.3
[M+NH4]+	451.23646	207.5
[M+K]+	472.16580	202.9
[M+H-H2O]+	416.19990	189.2
[M+HCOO]-	478.20084	216.7
[M+CH3COO]-	492.21649	210.8
[M+Na-2H]-	454.17731	205.8
[M]+	433.20209	201.5
[M]-	433.20319	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.20992

204.7

[M+Na]+

456.19186

212.3

[M-H]-

432.19536

209.3

[M+NH4]+

451.23646

207.5

[M+K]+

472.16580

202.9

[M+H-H2O]+

416.19990

189.2

[M+HCOO]-

478.20084

216.7

[M+CH3COO]-

492.21649

210.8

[M+Na-2H]-

454.17731

205.8

[M]+

433.20209

201.5

[M]-

433.20319

201.5

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

108635-82-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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