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]+ 373.187026 189.8
[M+Na]+ 395.168968 202.5
[M-H]- 371.172474 193.9
[M+NH4]+ 390.213573 200.3
[M+K]+ 411.142908 197.1
[M+H-H2O]+ 355.177010 179.4
[M+HCOO]- 417.177951 209.7
[M+CH3COO]- 431.193601 220.3
[M+Na-2H]- 393.154416 191.0
[M]+ 372.17920142 200.3
[M]- 372.18029858 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.