PubChemLite - 2-(4-bromophenyl)-n-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (C25H25BrN6)

Structural Information

Molecular Formula

SMILES

C1CC(C1)NC2=CC=C(C3=CC(=NN23)C4=CC=C(C=C4)Br)C5=NC(=NC=C5)NC6CCC6

InChI

InChI=1S/C25H25BrN6/c26-17-9-7-16(8-10-17)22-15-23-20(11-12-24(32(23)31-22)28-18-3-1-4-18)21-13-14-27-25(30-21)29-19-5-2-6-19/h7-15,18-19,28H,1-6H2,(H,27,29,30)

InChIKey

NUKRRHLQDQXLQS-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-N-cyclobutyl-4-[2-(cyclobutylamino)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]+	489.13970	186.7
[M+Na]+	511.12164	192.7
[M-H]-	487.12514	197.5
[M+NH4]+	506.16624	183.5
[M+K]+	527.09558	186.1
[M+H-H2O]+	471.12968	171.3
[M+HCOO]-	533.13062	200.4
[M+CH3COO]-	547.14627	194.6
[M+Na-2H]-	509.10709	190.1
[M]+	488.13187	215.5
[M]-	488.13297	215.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.13970

186.7

[M+Na]+

511.12164

192.7

[M-H]-

487.12514

197.5

[M+NH4]+

506.16624

183.5

[M+K]+

527.09558

186.1

[M+H-H2O]+

471.12968

171.3

[M+HCOO]-

533.13062

200.4

[M+CH3COO]-

547.14627

194.6

[M+Na-2H]-

509.10709

190.1

[M]+

488.13187

215.5

[M]-

488.13297

215.5

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

2-(4-bromophenyl)-n-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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