PubChemLite - 4-[8-(benzyloxy)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-n-cyclopentylpyrimidin-2-amine (C29H26FN5O)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4OCC5=CC=CC=C5)C6=CC=C(C=C6)F

InChI

InChI=1S/C29H26FN5O/c30-22-14-12-21(13-15-22)26-27(24-16-17-31-29(33-24)32-23-9-4-5-10-23)35-18-6-11-25(28(35)34-26)36-19-20-7-2-1-3-8-20/h1-3,6-8,11-18,23H,4-5,9-10,19H2,(H,31,32,33)

InChIKey

WENYNNGFKKTUSB-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-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]+	480.21941	212.1
[M+Na]+	502.20135	218.9
[M-H]-	478.20485	222.6
[M+NH4]+	497.24595	217.2
[M+K]+	518.17529	209.4
[M+H-H2O]+	462.20939	197.1
[M+HCOO]-	524.21033	229.1
[M+CH3COO]-	538.22598	219.1
[M+Na-2H]-	500.18680	211.1
[M]+	479.21158	210.8
[M]-	479.21268	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.21941

212.1

[M+Na]+

502.20135

218.9

[M-H]-

478.20485

222.6

[M+NH4]+

497.24595

217.2

[M+K]+

518.17529

209.4

[M+H-H2O]+

462.20939

197.1

[M+HCOO]-

524.21033

229.1

[M+CH3COO]-

538.22598

219.1

[M+Na-2H]-

500.18680

211.1

[M]+

479.21158

210.8

[M]-

479.21268

210.8

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

4-[8-(benzyloxy)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-n-cyclopentylpyrimidin-2-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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