CID 216542

37425-19-7

Structural Information

Molecular Formula
C14H15N7
SMILES
C1CN(CCN1C2=CC=CC=N2)C3=NC=C4C(=N3)N=CN4
InChI
InChI=1S/C14H15N7/c1-2-4-15-12(3-1)20-5-7-21(8-6-20)14-16-9-11-13(19-14)18-10-17-11/h1-4,9-10H,5-8H2,(H,16,17,18,19)
InChIKey
LBLSYVTWCXEOHO-UHFFFAOYSA-N
Compound name
2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1389 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14618 164.7
[M+Na]+ 304.12812 180.2
[M+NH4]+ 299.17272 171.0
[M+K]+ 320.10206 174.9
[M-H]- 280.13162 167.1
[M+Na-2H]- 302.11357 173.7
[M]+ 281.13835 167.5
[M]- 281.13945 167.5
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.