CID 3146349

376383-05-0

Structural Information

Molecular Formula
C14H21N5O2
SMILES
CCCNC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C14H21N5O2/c1-6-7-15-13-16-11-10(19(13)8-9(2)3)12(20)18(5)14(21)17(11)4/h2,6-8H2,1,3-5H3,(H,15,16)
InChIKey
BHJVAILKZINIOC-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(propylamino)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

291.16953 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17681 169.3
[M+Na]+ 314.15875 181.8
[M+NH4]+ 309.20335 173.6
[M+K]+ 330.13269 178.4
[M-H]- 290.16225 168.2
[M+Na-2H]- 312.14420 171.8
[M]+ 291.16898 170.4
[M]- 291.17008 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.