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]+ 292.176806 169.3
[M+Na]+ 314.158748 181.9
[M-H]- 290.162254 170.3
[M+NH4]+ 309.203353 183.4
[M+K]+ 330.132688 176.9
[M+H-H2O]+ 274.166790 161.0
[M+HCOO]- 336.167731 189.7
[M+CH3COO]- 350.183381 209.4
[M+Na-2H]- 312.144196 171.1
[M]+ 291.16898142 175.7
[M]- 291.17007858 175.7
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.