CID 3073781

152534-51-5

Structural Information

Molecular Formula
C20H24N4O2
SMILES
C1CC1N2C3=C(C(=O)N(C2=O)C4CC4)NC(=N3)C56CC7CC(C5)CC6C7
InChI
InChI=1S/C20H24N4O2/c25-17-15-16(23(13-1-2-13)19(26)24(17)14-3-4-14)22-18(21-15)20-8-10-5-11(9-20)7-12(20)6-10/h10-14H,1-9H2,(H,21,22)
InChIKey
UHZXYJYQXTUMGD-UHFFFAOYSA-N
Compound name
1,3-dicyclopropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

352.1899 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.197176 181.6
[M+Na]+ 375.179118 189.9
[M-H]- 351.182624 183.5
[M+NH4]+ 370.223723 189.9
[M+K]+ 391.153058 181.4
[M+H-H2O]+ 335.187160 175.8
[M+HCOO]- 397.188101 185.3
[M+CH3COO]- 411.203751 187.2
[M+Na-2H]- 373.164566 180.0
[M]+ 352.18935142 188.2
[M]- 352.19044858 188.2
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