PubChemLite - Schembl5451180 (C24H25FN6)

Structural Information

Molecular Formula

SMILES

CCCCNC1=CC=CC2=C(C(=NN21)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CC5

InChI

InChI=1S/C24H25FN6/c1-2-3-14-26-21-6-4-5-20-22(19-13-15-27-24(29-19)28-18-11-12-18)23(30-31(20)21)16-7-9-17(25)10-8-16/h4-10,13,15,18,26H,2-3,11-12,14H2,1H3,(H,27,28,29)

InChIKey

GXHNSOFFXNOAST-UHFFFAOYSA-N

Compound name

N-butyl-3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)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]+	417.21974	202.7
[M+Na]+	439.20168	213.0
[M-H]-	415.20518	210.3
[M+NH4]+	434.24628	205.4
[M+K]+	455.17562	202.3
[M+H-H2O]+	399.20972	190.2
[M+HCOO]-	461.21066	223.2
[M+CH3COO]-	475.22631	210.5
[M+Na-2H]-	437.18713	205.9
[M]+	416.21191	205.7
[M]-	416.21301	205.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.21974

202.7

[M+Na]+

439.20168

213.0

[M-H]-

415.20518

210.3

[M+NH4]+

434.24628

205.4

[M+K]+

455.17562

202.3

[M+H-H2O]+

399.20972

190.2

[M+HCOO]-

461.21066

223.2

[M+CH3COO]-

475.22631

210.5

[M+Na-2H]-

437.18713

205.9

[M]+

416.21191

205.7

[M]-

416.21301

205.7

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

Schembl5451180

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe