CID 46912230

1246560-33-7

Structural Information

Molecular Formula
C17H22N8O
SMILES
CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N
InChI
InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)
InChIKey
QYBGBLQCOOISAR-UHFFFAOYSA-N
Compound name
5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

1454
Patents

354.19165 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19893 185.3
[M+Na]+ 377.18087 199.8
[M+NH4]+ 372.22547 190.0
[M+K]+ 393.15481 196.6
[M-H]- 353.18437 189.1
[M+Na-2H]- 375.16632 191.2
[M]+ 354.19110 188.3
[M]- 354.19220 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe