PubChemLite - N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridin-7-amine (C33H34N6)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=CC=C(C3=CC(=NN23)C4=CC=CC(=C4)C5=CC=CC=C5)C6=NC(=NC=C6)NC7CCCC7

InChI

InChI=1S/C33H34N6/c1-2-9-23(10-3-1)24-11-8-12-25(21-24)30-22-31-28(17-18-32(39(31)38-30)35-26-13-4-5-14-26)29-19-20-34-33(37-29)36-27-15-6-7-16-27/h1-3,8-12,17-22,26-27,35H,4-7,13-16H2,(H,34,36,37)

InChIKey

VDIUCIPHJBTGJB-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridin-7-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]+	515.29178	212.8
[M+Na]+	537.27372	216.0
[M-H]-	513.27722	227.3
[M+NH4]+	532.31832	217.6
[M+K]+	553.24766	206.8
[M+H-H2O]+	497.28176	199.0
[M+HCOO]-	559.28270	229.9
[M+CH3COO]-	573.29835	219.0
[M+Na-2H]-	535.25917	208.8
[M]+	514.28395	208.1
[M]-	514.28505	208.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.29178

212.8

[M+Na]+

537.27372

216.0

[M-H]-

513.27722

227.3

[M+NH4]+

532.31832

217.6

[M+K]+

553.24766

206.8

[M+H-H2O]+

497.28176

199.0

[M+HCOO]-

559.28270

229.9

[M+CH3COO]-

573.29835

219.0

[M+Na-2H]-

535.25917

208.8

[M]+

514.28395

208.1

[M]-

514.28505

208.1

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

N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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