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]+ 282.146176 167.2
[M+Na]+ 304.128118 175.9
[M-H]- 280.131624 167.1
[M+NH4]+ 299.172723 174.6
[M+K]+ 320.102058 168.0
[M+H-H2O]+ 264.136160 154.0
[M+HCOO]- 326.137101 179.1
[M+CH3COO]- 340.152751 175.3
[M+Na-2H]- 302.113566 172.9
[M]+ 281.13835142 162.7
[M]- 281.13944858 162.7
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.