CID 1071321

7-benzyl-8-((2-(dimethylamino)ethyl)amino)-1,3-dimethyl-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C18H24N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN(C)C)CC3=CC=CC=C3
InChI
InChI=1S/C18H24N6O2/c1-21(2)11-10-19-17-20-15-14(16(25)23(4)18(26)22(15)3)24(17)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,19,20)
InChIKey
WXVLMGAEQIFKPX-UHFFFAOYSA-N
Compound name
7-benzyl-8-[2-(dimethylamino)ethylamino]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.19608 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20336 185.1
[M+Na]+ 379.18530 198.9
[M+NH4]+ 374.22990 190.1
[M+K]+ 395.15924 194.4
[M-H]- 355.18880 187.8
[M+Na-2H]- 377.17075 191.2
[M]+ 356.19553 187.6
[M]- 356.19663 187.6
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.