CID 6445217

6-(4-phenylallyl-1-piperazinyl)-9h-purine

Structural Information

Molecular Formula
C18H20N6
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC=NC4=C3NC=N4
InChI
InChI=1S/C18H20N6/c1-2-5-15(6-3-1)7-4-8-23-9-11-24(12-10-23)18-16-17(20-13-19-16)21-14-22-18/h1-7,13-14H,8-12H2,(H,19,20,21,22)/b7-4+
InChIKey
ZNSMRAVFZUCBFF-QPJJXVBHSA-N
Compound name
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.17496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18224 178.8
[M+Na]+ 343.16418 186.0
[M-H]- 319.16768 179.3
[M+NH4]+ 338.20878 186.0
[M+K]+ 359.13812 177.1
[M+H-H2O]+ 303.17222 165.4
[M+HCOO]- 365.17316 191.0
[M+CH3COO]- 379.18881 186.1
[M+Na-2H]- 341.14963 182.6
[M]+ 320.17441 174.2
[M]- 320.17551 174.2
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.