CID 651611

302788-70-1

Structural Information

Molecular Formula
C20H32N6O2
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCN4CCCCCC4
InChI
InChI=1S/C20H32N6O2/c1-23-17-16(18(27)22-20(23)28)26(15-14-24-10-6-2-3-7-11-24)19(21-17)25-12-8-4-5-9-13-25/h2-15H2,1H3,(H,22,27,28)
InChIKey
BUGSHYCRAVCTKK-UHFFFAOYSA-N
Compound name
8-(azepan-1-yl)-7-[2-(azepan-1-yl)ethyl]-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

388.25867 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.26595 201.5
[M+Na]+ 411.24789 207.4
[M+NH4]+ 406.29249 203.8
[M+K]+ 427.22183 205.5
[M-H]- 387.25139 201.7
[M+Na-2H]- 409.23334 202.8
[M]+ 388.25812 202.1
[M]- 388.25922 202.1
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.