CID 212791

Brn 1232387

Structural Information

Molecular Formula
C24H26N6O
SMILES
C1CN(CCN1C2=NC=C3C(=N2)N(C=N3)CCO)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H26N6O/c31-16-15-30-18-26-21-17-25-24(27-23(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
FQQCQNGKWMXXDH-UHFFFAOYSA-N
Compound name
2-[2-(4-benzhydrylpiperazin-1-yl)purin-9-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 200.6
[M+Na]+ 437.20602 206.0
[M-H]- 413.20952 204.2
[M+NH4]+ 432.25062 203.3
[M+K]+ 453.17996 196.9
[M+H-H2O]+ 397.21406 185.8
[M+HCOO]- 459.21500 210.7
[M+CH3COO]- 473.23065 206.1
[M+Na-2H]- 435.19147 202.1
[M]+ 414.21625 197.1
[M]- 414.21735 197.1
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

No patent data available for this compound.