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]+ 353.19718 181.6
[M+Na]+ 375.17912 189.9
[M-H]- 351.18262 183.5
[M+NH4]+ 370.22372 189.9
[M+K]+ 391.15306 181.4
[M+H-H2O]+ 335.18716 175.8
[M+HCOO]- 397.18810 185.3
[M+CH3COO]- 411.20375 187.2
[M+Na-2H]- 373.16457 180.0
[M]+ 352.18935 188.2
[M]- 352.19045 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