PubChemLite - 2-(4-allyloxyphenyl)-n-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (C30H34N6O)

Structural Information

Molecular Formula

SMILES

C=CCOC1=CC=C(C=C1)C2=NN3C(=CC=C(C3=C2)C4=NC(=NC=C4)NC5CCCC5)NC6CCCC6

InChI

InChI=1S/C30H34N6O/c1-2-19-37-24-13-11-21(12-14-24)27-20-28-25(15-16-29(36(28)35-27)32-22-7-3-4-8-22)26-17-18-31-30(34-26)33-23-9-5-6-10-23/h2,11-18,20,22-23,32H,1,3-10,19H2,(H,31,33,34)

InChIKey

PRPLGIPWJVDDTC-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-prop-2-enoxyphenyl)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]+	495.28670	212.2
[M+Na]+	517.26864	215.6
[M-H]-	493.27214	224.1
[M+NH4]+	512.31324	218.4
[M+K]+	533.24258	207.5
[M+H-H2O]+	477.27668	199.2
[M+HCOO]-	539.27762	229.8
[M+CH3COO]-	553.29327	218.6
[M+Na-2H]-	515.25409	207.8
[M]+	494.27887	209.7
[M]-	494.27997	209.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.28670

212.2

[M+Na]+

517.26864

215.6

[M-H]-

493.27214

224.1

[M+NH4]+

512.31324

218.4

[M+K]+

533.24258

207.5

[M+H-H2O]+

477.27668

199.2

[M+HCOO]-

539.27762

229.8

[M+CH3COO]-

553.29327

218.6

[M+Na-2H]-

515.25409

207.8

[M]+

494.27887

209.7

[M]-

494.27997

209.7

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

2-(4-allyloxyphenyl)-n-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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