PubChemLite - N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine (C28H32N6O)

Structural Information

Molecular Formula

SMILES

COC1=CC=CC(=C1)C2=NN3C(=CC=C(C3=C2)C4=NC(=NC=C4)NC5CCCC5)NC6CCCC6

InChI

InChI=1S/C28H32N6O/c1-35-22-12-6-7-19(17-22)25-18-26-23(13-14-27(34(26)33-25)30-20-8-2-3-9-20)24-15-16-29-28(32-24)31-21-10-4-5-11-21/h6-7,12-18,20-21,30H,2-5,8-11H2,1H3,(H,29,31,32)

InChIKey

RPLGZRNHOOKLMN-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)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]+	469.27104	204.2
[M+Na]+	491.25298	208.4
[M-H]-	467.25648	216.5
[M+NH4]+	486.29758	211.7
[M+K]+	507.22692	201.2
[M+H-H2O]+	451.26102	191.7
[M+HCOO]-	513.26196	222.4
[M+CH3COO]-	527.27761	211.6
[M+Na-2H]-	489.23843	201.0
[M]+	468.26321	201.9
[M]-	468.26431	201.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.27104

204.2

[M+Na]+

491.25298

208.4

[M-H]-

467.25648

216.5

[M+NH4]+

486.29758

211.7

[M+K]+

507.22692

201.2

[M+H-H2O]+

451.26102

191.7

[M+HCOO]-

513.26196

222.4

[M+CH3COO]-

527.27761

211.6

[M+Na-2H]-

489.23843

201.0

[M]+

468.26321

201.9

[M]-

468.26431

201.9

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-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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