CID 3551360

476480-79-2

Structural Information

Molecular Formula
C14H23N5O2
SMILES
CCCCNC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C
InChI
InChI=1S/C14H23N5O2/c1-4-6-8-15-13-16-11-10(19(13)9-7-5-2)12(20)17-14(21)18(11)3/h4-9H2,1-3H3,(H,15,16)(H,17,20,21)
InChIKey
FBFDGDOUJCKGFI-UHFFFAOYSA-N
Compound name
7-butyl-8-(butylamino)-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.18518 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19246 170.3
[M+Na]+ 316.17440 182.2
[M+NH4]+ 311.21900 174.6
[M+K]+ 332.14834 178.1
[M-H]- 292.17790 169.0
[M+Na-2H]- 314.15985 172.8
[M]+ 293.18463 171.2
[M]- 293.18573 171.2
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.