CID 776812

332099-12-4

Structural Information

Molecular Formula
C14H21N5O2
SMILES
CCN(CC)C1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C
InChI
InChI=1S/C14H21N5O2/c1-6-18(7-2)13-15-11-10(19(13)8-9(3)4)12(20)16-14(21)17(11)5/h3,6-8H2,1-2,4-5H3,(H,16,20,21)
InChIKey
ZSBSXORZIUJVGJ-UHFFFAOYSA-N
Compound name
8-(diethylamino)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16953 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17681 168.8
[M+Na]+ 314.15875 180.3
[M-H]- 290.16225 169.6
[M+NH4]+ 309.20335 182.5
[M+K]+ 330.13269 175.8
[M+H-H2O]+ 274.16679 160.4
[M+HCOO]- 336.16773 188.4
[M+CH3COO]- 350.18338 209.0
[M+Na-2H]- 312.14420 170.4
[M]+ 291.16898 174.3
[M]- 291.17008 174.3
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.