CID 3829694

309938-16-7

Structural Information

Molecular Formula
C23H25N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H25N5O2/c1-25-20-19(21(29)26(2)23(25)30)28(22(24-20)27-13-6-3-7-14-27)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-5,8-12H,3,6-7,13-15H2,1-2H3
InChIKey
IAGDZZSIVHLVCH-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-piperidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.20084 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20812 200.4
[M+Na]+ 426.19006 217.9
[M+NH4]+ 421.23466 206.8
[M+K]+ 442.16400 210.9
[M-H]- 402.19356 205.0
[M+Na-2H]- 424.17551 207.4
[M]+ 403.20029 204.3
[M]- 403.20139 204.3
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.