CID 647188

Smr000014436

Structural Information

Molecular Formula
C20H25N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCOCC3)CCC4=CC=CC=C4
InChI
InChI=1S/C20H25N5O3/c1-22-18-17(19(26)23(2)20(22)27)25(9-8-15-6-4-3-5-7-15)16(21-18)14-24-10-12-28-13-11-24/h3-7H,8-14H2,1-2H3
InChIKey
SUSLBOZVVIMHKD-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(2-phenylethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

383.19574 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20302 193.3
[M+Na]+ 406.18496 209.0
[M+NH4]+ 401.22956 198.2
[M+K]+ 422.15890 203.9
[M-H]- 382.18846 197.4
[M+Na-2H]- 404.17041 199.0
[M]+ 383.19519 196.6
[M]- 383.19629 196.6
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

No patent data available for this compound.