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]+ 270.09856 164.0
[M+Na]+ 292.08050 177.5
[M-H]- 268.08400 166.2
[M+NH4]+ 287.12510 174.9
[M+K]+ 308.05444 171.2
[M+H-H2O]+ 252.08854 153.1
[M+HCOO]- 314.08948 181.9
[M+CH3COO]- 328.10513 175.5
[M+Na-2H]- 290.06595 171.6
[M]+ 269.09073 167.1
[M]- 269.09183 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.