CID 3152877

7-benzyl-8-(2-ethoxyethoxy)-1,3-dimethyl-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C18H22N4O4
SMILES
CCOCCOC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C18H22N4O4/c1-4-25-10-11-26-17-19-15-14(16(23)21(3)18(24)20(15)2)22(17)12-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3
InChIKey
VHOJBHFHWDFQAT-UHFFFAOYSA-N
Compound name
7-benzyl-8-(2-ethoxyethoxy)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1641 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17138 185.4
[M+Na]+ 381.15332 200.7
[M+NH4]+ 376.19792 190.1
[M+K]+ 397.12726 195.8
[M-H]- 357.15682 186.4
[M+Na-2H]- 379.13877 190.9
[M]+ 358.16355 187.8
[M]- 358.16465 187.8
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.