CID 125424722

2060000-30-6

Structural Information

Molecular Formula
C8H4ClN3O3
SMILES
C1=C(C(=O)NC2=C1C(=NC=N2)Cl)C(=O)O
InChI
InChI=1S/C8H4ClN3O3/c9-5-3-1-4(8(14)15)7(13)12-6(3)11-2-10-5/h1-2H,(H,14,15)(H,10,11,12,13)
InChIKey
NFNNOFIWJHPCJG-UHFFFAOYSA-N
Compound name
4-chloro-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99413 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.001406 140.7
[M+Na]+ 247.983348 152.7
[M-H]- 223.986854 139.5
[M+NH4]+ 243.027953 155.6
[M+K]+ 263.957288 147.2
[M+H-H2O]+ 207.991390 134.1
[M+HCOO]- 269.992331 153.8
[M+CH3COO]- 284.007981 182.0
[M+Na-2H]- 245.968796 148.1
[M]+ 224.99358142 142.3
[M]- 224.99467858 142.3
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.