PubChemLite - Bms-986224 (C24H23ClN4O6)

Structural Information

Molecular Formula

SMILES

CCOCC1=C(C(=C(C(=O)N1)C2=NN=C(O2)CC3=NC=C(C=C3)Cl)O)C4=C(C=CC=C4OC)OC

InChI

InChI=1S/C24H23ClN4O6/c1-4-34-12-15-19(20-16(32-2)6-5-7-17(20)33-3)22(30)21(23(31)27-15)24-29-28-18(35-24)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H2,27,30,31)

InChIKey

AGZKELPIAJYRDT-UHFFFAOYSA-N

Compound name

3-[5-[(5-chloropyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-1H-pyridin-2-one

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]+	499.13788	220.9
[M+Na]+	521.11982	237.6
[M+NH4]+	516.16442	224.1
[M+K]+	537.09376	232.8
[M-H]-	497.12332	226.0
[M+Na-2H]-	519.10527	227.5
[M]+	498.13005	225.0
[M]-	498.13115	225.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.13788

220.9

[M+Na]+

521.11982

237.6

[M+NH4]+

516.16442

224.1

[M+K]+

537.09376

232.8

[M-H]-

497.12332

226.0

[M+Na-2H]-

519.10527

227.5

[M]+

498.13005

225.0

[M]-

498.13115

225.0

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

Bms-986224

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe