CID 322487

Methyl 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C11H11N3O5
SMILES
CN1C2=C(C=C(C(=O)N2)C(=O)OC)C(=O)N(C1=O)C
InChI
InChI=1S/C11H11N3O5/c1-13-7-5(9(16)14(2)11(13)18)4-6(8(15)12-7)10(17)19-3/h4H,1-3H3,(H,12,15)
InChIKey
PYSLFDMYTBJRRX-UHFFFAOYSA-N
Compound name
methyl 1,3-dimethyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0699 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07718 153.4
[M+Na]+ 288.05912 166.7
[M-H]- 264.06262 154.5
[M+NH4]+ 283.10372 167.2
[M+K]+ 304.03306 163.2
[M+H-H2O]+ 248.06716 145.9
[M+HCOO]- 310.06810 172.1
[M+CH3COO]- 324.08375 196.0
[M+Na-2H]- 286.04457 158.0
[M]+ 265.06935 158.5
[M]- 265.07045 158.5
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.