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 156.7
[M+Na]+ 375.17912 170.6
[M+NH4]+ 370.22372 167.6
[M+K]+ 391.15306 170.2
[M-H]- 351.18262 170.0
[M+Na-2H]- 373.16457 162.4
[M]+ 352.18935 164.7
[M]- 352.19045 164.7
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