CID 3152878

8-(2-methoxyethoxy)-1,3-dimethyl-7-(4-methylbenzyl)-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C18H22N4O4
SMILES
CC1=CC=C(C=C1)CN2C3=C(N=C2OCCOC)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C18H22N4O4/c1-12-5-7-13(8-6-12)11-22-14-15(19-17(22)26-10-9-25-4)20(2)18(24)21(3)16(14)23/h5-8H,9-11H2,1-4H3
InChIKey
UHPDZBBWYRCWNY-UHFFFAOYSA-N
Compound name
8-(2-methoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-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 186.0
[M+Na]+ 381.15332 201.6
[M+NH4]+ 376.19792 190.7
[M+K]+ 397.12726 196.9
[M-H]- 357.15682 187.1
[M+Na-2H]- 379.13877 191.2
[M]+ 358.16355 188.5
[M]- 358.16465 188.5
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.