CID 654166

476479-98-8

Structural Information

Molecular Formula
C22H24N6O2
SMILES
CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C
InChI
InChI=1S/C22H24N6O2/c1-25-10-12-27(13-11-25)21-23-19-18(20(29)24-22(30)26(19)2)28(21)14-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,10-14H2,1-2H3,(H,24,29,30)
InChIKey
WYFZOUATTKSAMC-UHFFFAOYSA-N
Compound name
3-methyl-8-(4-methylpiperazin-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

404.19608 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20336 200.9
[M+Na]+ 427.18530 217.8
[M+NH4]+ 422.22990 206.3
[M+K]+ 443.15924 211.6
[M-H]- 403.18880 204.2
[M+Na-2H]- 425.17075 207.0
[M]+ 404.19553 204.2
[M]- 404.19663 204.2
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.