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]+ 226.00141 140.7
[M+Na]+ 247.98335 152.7
[M-H]- 223.98685 139.5
[M+NH4]+ 243.02795 155.6
[M+K]+ 263.95729 147.2
[M+H-H2O]+ 207.99139 134.1
[M+HCOO]- 269.99233 153.8
[M+CH3COO]- 284.00798 182.0
[M+Na-2H]- 245.96880 148.1
[M]+ 224.99358 142.3
[M]- 224.99468 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.