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 215.8
[M+Na]+ 495.22140 226.5
[M-H]- 471.22490 219.3
[M+NH4]+ 490.26600 222.0
[M+K]+ 511.19534 221.2
[M+H-H2O]+ 455.22944 204.5
[M+HCOO]- 517.23038 234.2
[M+CH3COO]- 531.24603 239.0
[M+Na-2H]- 493.20685 214.1
[M]+ 472.23163 230.1
[M]- 472.23273 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