CID 663244

587003-68-7

Structural Information

Molecular Formula
C24H27N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C24H27N5O2/c1-26(16-19-12-8-5-9-13-19)17-20-25-22-21(23(30)28(3)24(31)27(22)2)29(20)15-14-18-10-6-4-7-11-18/h4-13H,14-17H2,1-3H3
InChIKey
SWLNPFSZEOGCNI-UHFFFAOYSA-N
Compound name
8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

417.21646 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22374 202.7
[M+Na]+ 440.20568 219.5
[M+NH4]+ 435.25028 208.4
[M+K]+ 456.17962 212.7
[M-H]- 416.20918 207.9
[M+Na-2H]- 438.19113 211.6
[M]+ 417.21591 206.6
[M]- 417.21701 206.6
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

No patent data available for this compound.