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 181.9
[M-H]- 290.16225 170.3
[M+NH4]+ 309.20335 183.4
[M+K]+ 330.13269 176.9
[M+H-H2O]+ 274.16679 161.0
[M+HCOO]- 336.16773 189.7
[M+CH3COO]- 350.18338 209.4
[M+Na-2H]- 312.14420 171.1
[M]+ 291.16898 175.7
[M]- 291.17008 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.