CID 6448779

1h-purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (e)-

Structural Information

Molecular Formula
C23H30N4O4
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=C(C(=C(C=C3)OC)C)OC)C
InChI
InChI=1S/C23H30N4O4/c1-7-13-26-21-19(22(28)27(14-8-2)23(26)29)25(4)18(24-21)12-10-16-9-11-17(30-5)15(3)20(16)31-6/h9-12H,7-8,13-14H2,1-6H3/b12-10+
InChIKey
IIVLGLJKIYHOOI-ZRDIBKRKSA-N
Compound name
8-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

426.2267 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.233976 207.2
[M+Na]+ 449.215918 220.2
[M-H]- 425.219424 211.4
[M+NH4]+ 444.260523 216.1
[M+K]+ 465.189858 213.5
[M+H-H2O]+ 409.223960 196.8
[M+HCOO]- 471.224901 225.8
[M+CH3COO]- 485.240551 233.2
[M+Na-2H]- 447.201366 204.9
[M]+ 426.22615142 219.0
[M]- 426.22724858 219.0
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