CID 3152883

476480-68-9

Structural Information

Molecular Formula
C19H24N4O4
SMILES
CCOCCOC1=NC2=C(N1C(C)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C19H24N4O4/c1-5-26-11-12-27-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)13(2)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3
InChIKey
JEEAYJHQOBABST-UHFFFAOYSA-N
Compound name
8-(2-ethoxyethoxy)-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 189.0
[M+Na]+ 395.16897 200.5
[M-H]- 371.17247 192.8
[M+NH4]+ 390.21357 199.1
[M+K]+ 411.14291 195.7
[M+H-H2O]+ 355.17701 178.6
[M+HCOO]- 417.17795 207.9
[M+CH3COO]- 431.19360 219.9
[M+Na-2H]- 393.15442 190.0
[M]+ 372.17920 198.5
[M]- 372.18030 198.5
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

No patent data available for this compound.