CID 3152882

476480-67-8

Structural Information

Molecular Formula
C18H22N4O4
SMILES
CC(C1=CC=CC=C1)N2C3=C(N=C2OCCOC)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C18H22N4O4/c1-12(13-8-6-5-7-9-13)22-14-15(19-17(22)26-11-10-25-4)20(2)18(24)21(3)16(14)23/h5-9,12H,10-11H2,1-4H3
InChIKey
MNXYTIFWXXSSHS-UHFFFAOYSA-N
Compound name
8-(2-methoxyethoxy)-1,3-dimethyl-7-(1-phenylethyl)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 184.6
[M+Na]+ 381.15332 199.5
[M+NH4]+ 376.19792 189.1
[M+K]+ 397.12726 195.5
[M-H]- 357.15682 185.4
[M+Na-2H]- 379.13877 189.8
[M]+ 358.16355 186.8
[M]- 358.16465 186.8
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.