CID 216618

37506-74-4

Structural Information

Molecular Formula
C25H28N6O2
SMILES
C1CN(CCN1C2=NC=NC3=C2N=CN3CC(CO)O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H28N6O2/c32-16-21(33)15-31-18-28-22-24(26-17-27-25(22)31)30-13-11-29(12-14-30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,21,23,32-33H,11-16H2
InChIKey
QLCXMURPOHOVGQ-UHFFFAOYSA-N
Compound name
3-[6-(4-benzhydrylpiperazin-1-yl)purin-9-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2274 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.23468 207.4
[M+Na]+ 467.21662 221.8
[M+NH4]+ 462.26122 212.1
[M+K]+ 483.19056 216.7
[M-H]- 443.22012 211.6
[M+Na-2H]- 465.20207 215.8
[M]+ 444.22685 210.5
[M]- 444.22795 210.5
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.