CID 11958053

2,4-dichloropyrido[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H3Cl2N3
SMILES
C1=CC2=C(C(=NC(=N2)Cl)Cl)N=C1
InChI
InChI=1S/C7H3Cl2N3/c8-6-5-4(2-1-3-10-5)11-7(9)12-6/h1-3H
InChIKey
UVVFNZJVLRJSMW-UHFFFAOYSA-N
Compound name
2,4-dichloropyrido[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

341
Patents

198.9704 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97768 133.4
[M+Na]+ 221.95962 145.9
[M-H]- 197.96312 133.3
[M+NH4]+ 217.00422 151.1
[M+K]+ 237.93356 140.3
[M+H-H2O]+ 181.96766 126.2
[M+HCOO]- 243.96860 144.4
[M+CH3COO]- 257.98425 146.4
[M+Na-2H]- 219.94507 143.1
[M]+ 198.96985 136.2
[M]- 198.97095 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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