CID 664781

476480-38-3

Structural Information

Molecular Formula
C12H18N4O3
SMILES
CCCOC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C12H18N4O3/c1-5-7-19-11-13-9-8(16(11)6-2)10(17)15(4)12(18)14(9)3/h5-7H2,1-4H3
InChIKey
CKWZNNDCPGJHCI-UHFFFAOYSA-N
Compound name
7-ethyl-1,3-dimethyl-8-propoxypurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.13788 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14516 159.5
[M+Na]+ 289.12710 173.7
[M-H]- 265.13060 160.6
[M+NH4]+ 284.17170 175.0
[M+K]+ 305.10104 169.9
[M+H-H2O]+ 249.13514 151.5
[M+HCOO]- 311.13608 180.5
[M+CH3COO]- 325.15173 200.4
[M+Na-2H]- 287.11255 162.9
[M]+ 266.13733 168.6
[M]- 266.13843 168.6
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.