PubChemLite - N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]-2-[3-(cyclohexylamino)phenyl]pyrazolo[1,5-a]pyridin-7-amine (C31H37N7)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)NC2=CC=CC(=C2)C3=NN4C(=CC=C(C4=C3)C5=NC(=NC=C5)NC6CCC6)NC7CCC7

InChI

InChI=1S/C31H37N7/c1-2-8-22(9-3-1)33-25-14-4-7-21(19-25)28-20-29-26(15-16-30(38(29)37-28)34-23-10-5-11-23)27-17-18-32-31(36-27)35-24-12-6-13-24/h4,7,14-20,22-24,33-34H,1-3,5-6,8-13H2,(H,32,35,36)

InChIKey

ZUUICGUDAPLUCN-UHFFFAOYSA-N

Compound name

N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]-2-[3-(cyclohexylamino)phenyl]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]+	508.31832	207.4
[M+Na]+	530.30026	206.6
[M-H]-	506.30376	217.0
[M+NH4]+	525.34486	197.6
[M+K]+	546.27420	205.3
[M+H-H2O]+	490.30830	181.8
[M+HCOO]-	552.30924	218.7
[M+CH3COO]-	566.32489	210.3
[M+Na-2H]-	528.28571	206.8
[M]+	507.31049	215.8
[M]-	507.31159	215.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.31832

207.4

[M+Na]+

530.30026

206.6

[M-H]-

506.30376

217.0

[M+NH4]+

525.34486

197.6

[M+K]+

546.27420

205.3

[M+H-H2O]+

490.30830

181.8

[M+HCOO]-

552.30924

218.7

[M+CH3COO]-

566.32489

210.3

[M+Na-2H]-

528.28571

206.8

[M]+

507.31049

215.8

[M]-

507.31159

215.8

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

N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]-2-[3-(cyclohexylamino)phenyl]pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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