CID 216528

9h-purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H20N6
SMILES
C1CN(CCN1CCC2=CC=CC=C2)C3=NC=C4C(=N3)N=CN4
InChI
InChI=1S/C17H20N6/c1-2-4-14(5-3-1)6-7-22-8-10-23(11-9-22)17-18-12-15-16(21-17)20-13-19-15/h1-5,12-13H,6-11H2,(H,18,19,20,21)
InChIKey
FJBCEKGVUIVCCW-UHFFFAOYSA-N
Compound name
2-[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]+ 309.18224 174.6
[M+Na]+ 331.16418 181.9
[M-H]- 307.16768 175.3
[M+NH4]+ 326.20878 182.4
[M+K]+ 347.13812 173.8
[M+H-H2O]+ 291.17222 161.5
[M+HCOO]- 353.17316 187.0
[M+CH3COO]- 367.18881 182.4
[M+Na-2H]- 329.14963 179.0
[M]+ 308.17441 170.6
[M]- 308.17551 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.