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

9
Patents

472.23218 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.23946 218.0
[M+Na]+ 495.22140 231.7
[M+NH4]+ 490.26600 220.1
[M+K]+ 511.19534 226.8
[M-H]- 471.22490 217.7
[M+Na-2H]- 493.20685 220.3
[M]+ 472.23163 219.6
[M]- 472.23273 219.6
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