PubChemLite - Glpg-0259 (C24H26N8O2)

Structural Information

Molecular Formula

SMILES

CC(C)N1C[C@@H]2C[C@H]1CN2C3=CC=C(C=C3)NC4=NC=C(N5C4=NC=N5)C6=COC(=C6)C(=O)N

InChI

InChI=1S/C24H26N8O2/c1-14(2)30-10-19-8-18(30)11-31(19)17-5-3-16(4-6-17)29-23-24-27-13-28-32(24)20(9-26-23)15-7-21(22(25)33)34-12-15/h3-7,9,12-14,18-19H,8,10-11H2,1-2H3,(H2,25,33)(H,26,29)/t18-,19-/m0/s1

InChIKey

YBFGSJUVEOYPIS-OALUTQOASA-N

Compound name

4-[8-[4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide

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]+	459.22514	202.2
[M+Na]+	481.20708	212.9
[M+NH4]+	476.25168	207.1
[M+K]+	497.18102	216.8
[M-H]-	457.21058	207.3
[M+Na-2H]-	479.19253	205.7
[M]+	458.21731	204.8
[M]-	458.21841	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.22514

202.2

[M+Na]+

481.20708

212.9

[M+NH4]+

476.25168

207.1

[M+K]+

497.18102

216.8

[M-H]-

457.21058

207.3

[M+Na-2H]-

479.19253

205.7

[M]+

458.21731

204.8

[M]-

458.21841

204.8

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

Glpg-0259

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe