CID 6448799

151539-45-6

Structural Information

Molecular Formula
C24H32N4O3
SMILES
CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3CCC)CCC
InChI
InChI=1S/C24H32N4O3/c1-5-8-17-31-19-12-9-18(10-13-19)11-14-20-25-22-21(26(20)4)23(29)28(16-7-3)24(30)27(22)15-6-2/h9-14H,5-8,15-17H2,1-4H3/b14-11+
InChIKey
OJNKZLMFCCEFTA-SDNWHVSQSA-N
Compound name
8-[(E)-2-(4-butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

424.24744 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.25472 208.6
[M+Na]+ 447.23666 223.5
[M+NH4]+ 442.28126 212.5
[M+K]+ 463.21060 216.7
[M-H]- 423.24016 209.6
[M+Na-2H]- 445.22211 212.5
[M]+ 424.24689 210.9
[M]- 424.24799 210.9
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