CID 6448812

1h-purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxy-1-naphthalenyl)ethenyl)-, (e)-

Structural Information

Molecular Formula
C24H26N4O3
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC=C(C4=CC=CC=C34)OC
InChI
InChI=1S/C24H26N4O3/c1-4-14-27-22-21(23(29)28(15-5-2)24(27)30)25-20(26-22)13-11-16-10-12-19(31-3)18-9-7-6-8-17(16)18/h6-13H,4-5,14-15H2,1-3H3,(H,25,26)/b13-11+
InChIKey
GZNBFFZICHQUIV-ACCUITESSA-N
Compound name
8-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

418.2005 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.207776 207.1
[M+Na]+ 441.189718 218.7
[M-H]- 417.193224 210.1
[M+NH4]+ 436.234323 215.6
[M+K]+ 457.163658 209.7
[M+H-H2O]+ 401.197760 195.9
[M+HCOO]- 463.198701 223.2
[M+CH3COO]- 477.214351 215.7
[M+Na-2H]- 439.175166 207.7
[M]+ 418.19995142 213.7
[M]- 418.20104858 213.7
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