CID 198031

24932-86-3

Structural Information

Molecular Formula
C24H26N6O
SMILES
C1CN(CCN1C2=NC=NC3=C2N=CN3CCO)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H26N6O/c31-16-15-30-18-27-21-23(25-17-26-24(21)30)29-13-11-28(12-14-29)22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,22,31H,11-16H2
InChIKey
RINBFNBBNFPEBN-UHFFFAOYSA-N
Compound name
2-[6-(4-benzhydrylpiperazin-1-yl)purin-9-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.2168 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22408 201.2
[M+Na]+ 437.20602 217.3
[M+NH4]+ 432.25062 207.1
[M+K]+ 453.17996 210.6
[M-H]- 413.20952 206.4
[M+Na-2H]- 435.19147 211.1
[M]+ 414.21625 205.0
[M]- 414.21735 205.0
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.