CID 2987754

577766-25-7

Structural Information

Molecular Formula
C22H30N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CCOC
InChI
InChI=1S/C22H30N6O3/c1-24-20-19(21(29)25(2)22(24)30)28(13-14-31-3)18(23-20)16-27-11-9-26(10-12-27)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKey
AUEUQXGWWWMPRH-UHFFFAOYSA-N
Compound name
8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.23795 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.24523 206.7
[M+Na]+ 449.22717 221.7
[M+NH4]+ 444.27177 210.6
[M+K]+ 465.20111 216.4
[M-H]- 425.23067 208.8
[M+Na-2H]- 447.21262 211.8
[M]+ 426.23740 209.3
[M]- 426.23850 209.3
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

No patent data available for this compound.