CID 11617054

Luf-5962

Structural Information

Molecular Formula
C22H20N4
SMILES
C1CCC(C1)C2=NC3=NC(=NC(=C3N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)
InChIKey
NDJOQVVSPLVIDN-UHFFFAOYSA-N
Compound name
8-cyclopentyl-2,6-diphenyl-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

340.1688 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17608 182.0
[M+Na]+ 363.15802 198.8
[M+NH4]+ 358.20262 190.5
[M+K]+ 379.13196 192.9
[M-H]- 339.16152 188.9
[M+Na-2H]- 361.14347 193.2
[M]+ 340.16825 186.5
[M]- 340.16935 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe