CID 40152233

938443-19-7

Structural Information

Molecular Formula

C₇H₄ClN₃O₂

SMILES

C1=CC(=NC2=C1C(=O)NC(=O)N2)Cl

InChI

InChI=1S/C7H4ClN3O2/c8-4-2-1-3-5(9-4)10-7(13)11-6(3)12/h1-2H,(H2,9,10,11,12,13)

InChIKey

DJHNDPHQSQMESD-UHFFFAOYSA-N

Compound name

7-chloro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 196.9992 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.00648	134.6
[M+Na]+	219.98842	147.5
[M-H]-	195.99192	133.3
[M+NH4]+	215.03302	150.9
[M+K]+	235.96236	141.1
[M+H-H2O]+	179.99646	128.1
[M+HCOO]-	241.99740	148.8
[M+CH3COO]-	256.01305	147.4
[M+Na-2H]-	217.97387	143.5
[M]+	196.99865	134.9
[M]-	196.99975	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe