CID 145710758

2190512-63-9

Structural Information

Molecular Formula

C₇H₄ClN₃O₂

SMILES

C1=C2C(=CN=C1Cl)NC(=O)NC2=O

InChI

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

InChIKey

HDEOTJKWWSGNNW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 196.9992 Da
Monoisotopic Mass: 0.3
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	135.1
[M+Na]+	219.98842	150.7
[M+NH4]+	215.03302	142.3
[M+K]+	235.96236	144.5
[M-H]-	195.99192	134.8
[M+Na-2H]-	217.97387	141.5
[M]+	196.99865	137.4
[M]-	196.99975	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe