PubChemLite - Schembl5412512 (C26H27FN6O)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=C(C=C4)N5CCOCC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C26H27FN6O/c27-19-7-5-18(6-8-19)24-25(22-11-12-28-26(30-22)29-20-3-1-2-4-20)33-17-21(9-10-23(33)31-24)32-13-15-34-16-14-32/h5-12,17,20H,1-4,13-16H2,(H,28,29,30)

InChIKey

JPLNWTQRWZCVJP-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-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]+	459.23030	206.6
[M+Na]+	481.21224	212.3
[M-H]-	457.21574	215.8
[M+NH4]+	476.25684	209.8
[M+K]+	497.18618	204.4
[M+H-H2O]+	441.22028	191.5
[M+HCOO]-	503.22122	218.3
[M+CH3COO]-	517.23687	212.8
[M+Na-2H]-	479.19769	203.8
[M]+	458.22247	201.5
[M]-	458.22357	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.23030

206.6

[M+Na]+

481.21224

212.3

[M-H]-

457.21574

215.8

[M+NH4]+

476.25684

209.8

[M+K]+

497.18618

204.4

[M+H-H2O]+

441.22028

191.5

[M+HCOO]-

503.22122

218.3

[M+CH3COO]-

517.23687

212.8

[M+Na-2H]-

479.19769

203.8

[M]+

458.22247

201.5

[M]-

458.22357

201.5

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

Schembl5412512

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe