CID 949853

476482-50-5

Structural Information

Molecular Formula
C15H24N6O2
SMILES
CCN(CC)CCNC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C
InChI
InChI=1S/C15H24N6O2/c1-5-9-21-11-12(19(4)15(23)18-13(11)22)17-14(21)16-8-10-20(6-2)7-3/h5H,1,6-10H2,2-4H3,(H,16,17)(H,18,22,23)
InChIKey
DXAWCMMHPPUJNA-UHFFFAOYSA-N
Compound name
8-[2-(diethylamino)ethylamino]-3-methyl-7-prop-2-enylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19608 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20336 177.4
[M+Na]+ 343.18530 187.6
[M-H]- 319.18880 177.9
[M+NH4]+ 338.22990 189.6
[M+K]+ 359.15924 182.5
[M+H-H2O]+ 303.19334 168.1
[M+HCOO]- 365.19428 198.6
[M+CH3COO]- 379.20993 216.2
[M+Na-2H]- 341.17075 180.2
[M]+ 320.19553 183.0
[M]- 320.19663 183.0
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.