CID 131337

8-mcpdpx

Structural Information

Molecular Formula
C18H26N4O2
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C3CC3)C4CC4
InChI
InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKey
OEPXIQLEKWHAGE-UHFFFAOYSA-N
Compound name
8-(dicyclopropylmethyl)-1,3-dipropyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

93
Patents

330.20557 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21285 158.3
[M+Na]+ 353.19479 172.2
[M+NH4]+ 348.23939 164.6
[M+K]+ 369.16873 171.5
[M-H]- 329.19829 171.7
[M+Na-2H]- 351.18024 167.9
[M]+ 330.20502 165.9
[M]- 330.20612 165.9
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