CID 137106310

Bms-986224

Structural Information

Molecular Formula
C24H23ClN4O6
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-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

498.1306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.13788 217.5
[M+Na]+ 521.11982 227.6
[M-H]- 497.12332 224.7
[M+NH4]+ 516.16442 218.8
[M+K]+ 537.09376 221.8
[M+H-H2O]+ 481.12786 205.0
[M+HCOO]- 543.12880 228.4
[M+CH3COO]- 557.14445 235.3
[M+Na-2H]- 519.10527 215.4
[M]+ 498.13005 227.0
[M]- 498.13115 227.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.