CID 6448873

155271-27-5

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=C(C=CC(=C3)C)C)C
InChI
InChI=1S/C20H24N4O2/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(5)16(21-18)11-10-15-12-13(3)8-9-14(15)4/h8-12H,6-7H2,1-5H3/b11-10+
InChIKey
NHYDMTSWVYYMOZ-ZHACJKMWSA-N
Compound name
8-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

352.1899 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.197176 188.1
[M+Na]+ 375.179118 202.3
[M-H]- 351.182624 192.5
[M+NH4]+ 370.223723 200.1
[M+K]+ 391.153058 194.7
[M+H-H2O]+ 335.187160 178.4
[M+HCOO]- 397.188101 207.6
[M+CH3COO]- 411.203751 218.9
[M+Na-2H]- 373.164566 187.9
[M]+ 352.18935142 195.9
[M]- 352.19044858 195.9
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

patents stripe