CID 4404728

476481-44-4

Structural Information

Molecular Formula
C12H19N5O3
SMILES
CCCCNC1=NC2=C(N1CCO)C(=O)NC(=O)N2C
InChI
InChI=1S/C12H19N5O3/c1-3-4-5-13-11-14-9-8(17(11)6-7-18)10(19)15-12(20)16(9)2/h18H,3-7H2,1-2H3,(H,13,14)(H,15,19,20)
InChIKey
YGVQUGKUVGAYOR-UHFFFAOYSA-N
Compound name
8-(butylamino)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1488 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15608 164.9
[M+Na]+ 304.13802 176.2
[M+NH4]+ 299.18262 168.7
[M+K]+ 320.11196 173.5
[M-H]- 280.14152 162.7
[M+Na-2H]- 302.12347 167.0
[M]+ 281.14825 165.4
[M]- 281.14935 165.4
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.