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

24
Patents

196.9992 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe