CID 6448861

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

Structural Information

Molecular Formula
C20H24N4O4
SMILES
CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=C(C(=C(C=C3)OC)C)OC
InChI
InChI=1S/C20H24N4O4/c1-6-23-18-16(19(25)24(7-2)20(23)26)21-15(22-18)11-9-13-8-10-14(27-4)12(3)17(13)28-5/h8-11H,6-7H2,1-5H3,(H,21,22)/b11-9+
InChIKey
OHXFFFQRRAZTNY-PKNBQFBNSA-N
Compound name
8-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

384.17975 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.187026 194.4
[M+Na]+ 407.168968 207.5
[M-H]- 383.172474 197.5
[M+NH4]+ 402.213573 204.1
[M+K]+ 423.142908 200.6
[M+H-H2O]+ 367.177010 184.7
[M+HCOO]- 429.177951 212.7
[M+CH3COO]- 443.193601 221.1
[M+Na-2H]- 405.154416 194.0
[M]+ 384.17920142 203.1
[M]- 384.18029858 203.1
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