PubChemLite - 2-pyrimidinamine, n-cyclopentyl-4-[2-(4-fluorophenyl)-7-(1-piperidinyl)pyrazolo[1,5-a]pyridin-3-yl]- (C27H29FN6)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C2=CC=CC3=C(C(=NN32)C4=CC=C(C=C4)F)C5=NC(=NC=C5)NC6CCCC6

InChI

InChI=1S/C27H29FN6/c28-20-13-11-19(12-14-20)26-25(22-15-16-29-27(31-22)30-21-7-2-3-8-21)23-9-6-10-24(34(23)32-26)33-17-4-1-5-18-33/h6,9-16,21H,1-5,7-8,17-18H2,(H,29,30,31)

InChIKey

OQQIEXBGDRTVEB-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

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]+	457.25105	207.6
[M+Na]+	479.23299	212.7
[M-H]-	455.23649	216.0
[M+NH4]+	474.27759	212.2
[M+K]+	495.20693	203.0
[M+H-H2O]+	439.24103	191.9
[M+HCOO]-	501.24197	219.8
[M+CH3COO]-	515.25762	213.4
[M+Na-2H]-	477.21844	204.3
[M]+	456.24322	201.0
[M]-	456.24432	201.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.25105

207.6

[M+Na]+

479.23299

212.7

[M-H]-

455.23649

216.0

[M+NH4]+

474.27759

212.2

[M+K]+

495.20693

203.0

[M+H-H2O]+

439.24103

191.9

[M+HCOO]-

501.24197

219.8

[M+CH3COO]-

515.25762

213.4

[M+Na-2H]-

477.21844

204.3

[M]+

456.24322

201.0

[M]-

456.24432

201.0

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

2-pyrimidinamine, n-cyclopentyl-4-[2-(4-fluorophenyl)-7-(1-piperidinyl)pyrazolo[1,5-a]pyridin-3-yl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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