CID 6448793

151539-39-8

Structural Information

Molecular Formula
C23H30N4O3
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=C(C=C(C(=C3)C)OC)C)C
InChI
InChI=1S/C23H30N4O3/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(5)19(24-21)10-9-17-13-16(4)18(30-6)14-15(17)3/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+
InChIKey
NYAGDHMTEWNZRA-MDZDMXLPSA-N
Compound name
8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

410.23178 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23906 205.4
[M+Na]+ 433.22100 221.3
[M+NH4]+ 428.26560 209.6
[M+K]+ 449.19494 215.1
[M-H]- 409.22450 206.8
[M+Na-2H]- 431.20645 209.1
[M]+ 410.23123 208.1
[M]- 410.23233 208.1
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