CID 212805

24951-02-8

Structural Information

Molecular Formula
C17H20N6
SMILES
C1CN(CCN1CCC2=CC=CC=C2)C3=NC=NC4=C3NC=N4
InChI
InChI=1S/C17H20N6/c1-2-4-14(5-3-1)6-7-22-8-10-23(11-9-22)17-15-16(19-12-18-15)20-13-21-17/h1-5,12-13H,6-11H2,(H,18,19,20,21)
InChIKey
MDCMDDZYAZUGNN-UHFFFAOYSA-N
Compound name
6-[4-(2-phenylethyl)piperazin-1-yl]-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.17496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.182236 174.6
[M+Na]+ 331.164178 181.9
[M-H]- 307.167684 175.3
[M+NH4]+ 326.208783 182.4
[M+K]+ 347.138118 173.8
[M+H-H2O]+ 291.172220 161.5
[M+HCOO]- 353.173161 187.0
[M+CH3COO]- 367.188811 182.4
[M+Na-2H]- 329.149626 179.0
[M]+ 308.17441142 170.6
[M]- 308.17550858 170.6
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.