CID 294683

Nsc163556

Structural Information

Molecular Formula
C10H11N3O5
SMILES
CN1C2=C(C(CC(=O)N2)C(=O)O)C(=O)N(C1=O)C
InChI
InChI=1S/C10H11N3O5/c1-12-7-6(8(15)13(2)10(12)18)4(9(16)17)3-5(14)11-7/h4H,3H2,1-2H3,(H,11,14)(H,16,17)
InChIKey
XETIKECBDSCBFO-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06987 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07715 152.0
[M+Na]+ 276.05909 163.3
[M-H]- 252.06259 151.0
[M+NH4]+ 271.10369 165.3
[M+K]+ 292.03303 159.6
[M+H-H2O]+ 236.06713 145.0
[M+HCOO]- 298.06807 166.7
[M+CH3COO]- 312.08372 192.1
[M+Na-2H]- 274.04454 154.7
[M]+ 253.06932 152.2
[M]- 253.07042 152.2
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.