CID 323060

64232-94-6

Structural Information

Molecular Formula
C13H11N5O2
SMILES
CN1C2=NC=C(N=C2C(=O)N(C1=O)C)C3=CN=CC=C3
InChI
InChI=1S/C13H11N5O2/c1-17-11-10(12(19)18(2)13(17)20)16-9(7-15-11)8-4-3-5-14-6-8/h3-7H,1-2H3
InChIKey
DRRJKOOXPBBBAS-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-pyridin-3-ylpteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.09128 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.098556 164.0
[M+Na]+ 292.080498 177.5
[M-H]- 268.084004 166.2
[M+NH4]+ 287.125103 174.9
[M+K]+ 308.054438 171.2
[M+H-H2O]+ 252.088540 153.1
[M+HCOO]- 314.089481 181.9
[M+CH3COO]- 328.105131 175.5
[M+Na-2H]- 290.065946 171.6
[M]+ 269.09073142 167.1
[M]- 269.09182858 167.1
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.