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]+ 373.187026 189.0
[M+Na]+ 395.168968 200.5
[M-H]- 371.172474 192.8
[M+NH4]+ 390.213573 199.1
[M+K]+ 411.142908 195.7
[M+H-H2O]+ 355.177010 178.6
[M+HCOO]- 417.177951 207.9
[M+CH3COO]- 431.193601 219.9
[M+Na-2H]- 393.154416 190.0
[M]+ 372.17920142 198.5
[M]- 372.18029858 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.