CID 3152879

476480-53-2

Structural Information

Molecular Formula
C19H24N4O4
SMILES
CCOCCOC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C19H24N4O4/c1-5-26-10-11-27-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)12-14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3
InChIKey
JVUGZYNQODQMAM-UHFFFAOYSA-N
Compound name
8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

372.17975 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18703 189.8
[M+Na]+ 395.16897 202.5
[M-H]- 371.17247 193.9
[M+NH4]+ 390.21357 200.3
[M+K]+ 411.14291 197.1
[M+H-H2O]+ 355.17701 179.4
[M+HCOO]- 417.17795 209.7
[M+CH3COO]- 431.19360 220.3
[M+Na-2H]- 393.15442 191.0
[M]+ 372.17920 200.3
[M]- 372.18030 200.3
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.