PubChemLite - 2-(3-bromophenyl)-n-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (C27H29BrN6)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=CC=C(C3=CC(=NN23)C4=CC(=CC=C4)Br)C5=NC(=NC=C5)NC6CCCC6

InChI

InChI=1S/C27H29BrN6/c28-19-7-5-6-18(16-19)24-17-25-22(12-13-26(34(25)33-24)30-20-8-1-2-9-20)23-14-15-29-27(32-23)31-21-10-3-4-11-21/h5-7,12-17,20-21,30H,1-4,8-11H2,(H,29,31,32)

InChIKey

XJWWHHMIGGYNJG-UHFFFAOYSA-N

Compound name

2-(3-bromophenyl)-N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]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]+	517.17098	211.2
[M+Na]+	539.15292	218.3
[M-H]-	515.15642	225.4
[M+NH4]+	534.19752	221.1
[M+K]+	555.12686	205.3
[M+H-H2O]+	499.16096	206.5
[M+HCOO]-	561.16190	227.7
[M+CH3COO]-	575.17755	220.1
[M+Na-2H]-	537.13837	208.9
[M]+	516.16315	225.5
[M]-	516.16425	225.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.17098

211.2

[M+Na]+

539.15292

218.3

[M-H]-

515.15642

225.4

[M+NH4]+

534.19752

221.1

[M+K]+

555.12686

205.3

[M+H-H2O]+

499.16096

206.5

[M+HCOO]-

561.16190

227.7

[M+CH3COO]-

575.17755

220.1

[M+Na-2H]-

537.13837

208.9

[M]+

516.16315

225.5

[M]-

516.16425

225.5

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

2-(3-bromophenyl)-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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