CID 212786

24926-44-1

Structural Information

Molecular Formula
C14H16N8
SMILES
CN1C=NC2=CN=C(N=C21)N3CCN(CC3)C4=NC=CC=N4
InChI
InChI=1S/C14H16N8/c1-20-10-18-11-9-17-14(19-12(11)20)22-7-5-21(6-8-22)13-15-3-2-4-16-13/h2-4,9-10H,5-8H2,1H3
InChIKey
OXYPTGPWLQOMSQ-UHFFFAOYSA-N
Compound name
9-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14978 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15706 174.1
[M+Na]+ 319.13900 184.2
[M-H]- 295.14250 174.4
[M+NH4]+ 314.18360 180.5
[M+K]+ 335.11294 176.5
[M+H-H2O]+ 279.14704 160.2
[M+HCOO]- 341.14798 185.9
[M+CH3COO]- 355.16363 182.3
[M+Na-2H]- 317.12445 179.0
[M]+ 296.14923 172.1
[M]- 296.15033 172.1
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.