CID 212788

24926-55-4

Structural Information

Molecular Formula
C18H22N6
SMILES
CC(CC1=CC=CC=C1)N2CCN(CC2)C3=NC=NC4=C3NC=N4
InChI
InChI=1S/C18H22N6/c1-14(11-15-5-3-2-4-6-15)23-7-9-24(10-8-23)18-16-17(20-12-19-16)21-13-22-18/h2-6,12-14H,7-11H2,1H3,(H,19,20,21,22)
InChIKey
SVDQCIVZJZCQJQ-UHFFFAOYSA-N
Compound name
6-[4-(1-phenylpropan-2-yl)piperazin-1-yl]-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.19058 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19786 178.8
[M+Na]+ 345.17980 185.2
[M-H]- 321.18330 179.5
[M+NH4]+ 340.22440 185.8
[M+K]+ 361.15374 177.5
[M+H-H2O]+ 305.18784 165.6
[M+HCOO]- 367.18878 189.8
[M+CH3COO]- 381.20443 186.0
[M+Na-2H]- 343.16525 181.7
[M]+ 322.19003 174.5
[M]- 322.19113 174.5
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.