PubChemLite - Schembl5457494 (C26H27FN6)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C4C=CC=C(N4N=C3C5=CC=C(C=C5)F)N6CCCC6

InChI

InChI=1S/C26H27FN6/c27-19-12-10-18(11-13-19)25-24(21-14-15-28-26(30-21)29-20-6-1-2-7-20)22-8-5-9-23(33(22)31-25)32-16-3-4-17-32/h5,8-15,20H,1-4,6-7,16-17H2,(H,28,29,30)

InChIKey

IWHNNBJRAOIAPH-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-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]+	443.23540	200.4
[M+Na]+	465.21734	206.7
[M-H]-	441.22084	210.3
[M+NH4]+	460.26194	207.9
[M+K]+	481.19128	198.2
[M+H-H2O]+	425.22538	186.5
[M+HCOO]-	487.22632	215.6
[M+CH3COO]-	501.24197	207.8
[M+Na-2H]-	463.20279	195.5
[M]+	442.22757	196.3
[M]-	442.22867	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.23540

200.4

[M+Na]+

465.21734

206.7

[M-H]-

441.22084

210.3

[M+NH4]+

460.26194

207.9

[M+K]+

481.19128

198.2

[M+H-H2O]+

425.22538

186.5

[M+HCOO]-

487.22632

215.6

[M+CH3COO]-

501.24197

207.8

[M+Na-2H]-

463.20279

195.5

[M]+

442.22757

196.3

[M]-

442.22867

196.3

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

Schembl5457494

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe