CID 6448971

155814-26-9

Structural Information

Molecular Formula
C24H32N4O6
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OCOC)OCOC)C
InChI
InChI=1S/C24H32N4O6/c1-6-12-27-22-21(23(29)28(13-7-2)24(27)30)26(3)20(25-22)11-9-17-8-10-18(33-15-31-4)19(14-17)34-16-32-5/h8-11,14H,6-7,12-13,15-16H2,1-5H3/b11-9+
InChIKey
DXBWGAGBXVYUFM-PKNBQFBNSA-N
Compound name
8-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

472.23218 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.239456 215.8
[M+Na]+ 495.221398 226.5
[M-H]- 471.224904 219.3
[M+NH4]+ 490.266003 222.0
[M+K]+ 511.195338 221.2
[M+H-H2O]+ 455.229440 204.5
[M+HCOO]- 517.230381 234.2
[M+CH3COO]- 531.246031 239.0
[M+Na-2H]- 493.206846 214.1
[M]+ 472.23163142 230.1
[M]- 472.23272858 230.1
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