CID 53488052

2,4,6-trichloropyrido[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H2Cl3N3
SMILES
C1=CC(=NC2=C1N=C(N=C2Cl)Cl)Cl
InChI
InChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(12-4)6(9)13-7(10)11-3/h1-2H
InChIKey
KPUMPJIRBVOFGW-UHFFFAOYSA-N
Compound name
2,4,6-trichloropyrido[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

232.93143 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.93871 138.9
[M+Na]+ 255.92065 151.8
[M-H]- 231.92415 137.7
[M+NH4]+ 250.96525 155.3
[M+K]+ 271.89459 145.9
[M+H-H2O]+ 215.92869 132.2
[M+HCOO]- 277.92963 144.3
[M+CH3COO]- 291.94528 150.9
[M+Na-2H]- 253.90610 146.6
[M]+ 232.93088 141.9
[M]- 232.93198 141.9
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