CID 139486484

Gdc-6599

Structural Information

Molecular Formula
C20H19ClN6O3
SMILES
CC1=NC2=C(C(=O)N1CC3=NC(=NO3)[C@H]4C[C@@H](OC4)C5=CC=C(C=C5)Cl)N(C=N2)C
InChI
InChI=1S/C20H19ClN6O3/c1-11-23-19-17(26(2)10-22-19)20(28)27(11)8-16-24-18(25-30-16)13-7-15(29-9-13)12-3-5-14(21)6-4-12/h3-6,10,13,15H,7-9H2,1-2H3/t13-,15+/m0/s1
InChIKey
FIBJEOLUMVIRIT-DZGCQCFKSA-N
Compound name
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2,7-dimethylpurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

426.12073 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12801 195.3
[M+Na]+ 449.10995 212.3
[M+NH4]+ 444.15455 200.7
[M+K]+ 465.08389 211.9
[M-H]- 425.11345 201.9
[M+Na-2H]- 447.09540 201.5
[M]+ 426.12018 199.9
[M]- 426.12128 199.9
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

patents stripe