CID 207805

Nv 15

Structural Information

Molecular Formula
C16H20N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CCCN
InChI
InChI=1S/C16H20N6O2/c1-20-14-13(15(23)21(2)16(20)24)22(8-4-6-17)12(19-14)9-11-5-3-7-18-10-11/h3,5,7,10H,4,6,8-9,17H2,1-2H3
InChIKey
HEPDEQCZRNVVJT-UHFFFAOYSA-N
Compound name
7-(3-aminopropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16476 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17204 178.2
[M+Na]+ 351.15398 193.1
[M+NH4]+ 346.19858 182.9
[M+K]+ 367.12792 188.6
[M-H]- 327.15748 179.5
[M+Na-2H]- 349.13943 183.9
[M]+ 328.16421 180.5
[M]- 328.16531 180.5
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.