CID 71756769

4-chloropyrido[2,3-d]pyrimidin-7-amine

Structural Information

Molecular Formula
C7H5ClN4
SMILES
C1=CC(=NC2=C1C(=NC=N2)Cl)N
InChI
InChI=1S/C7H5ClN4/c8-6-4-1-2-5(9)12-7(4)11-3-10-6/h1-3H,(H2,9,10,11,12)
InChIKey
UWJFEIGJUKIOPS-UHFFFAOYSA-N
Compound name
4-chloropyrido[2,3-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

180.02028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02756 132.4
[M+Na]+ 203.00950 148.1
[M+NH4]+ 198.05410 141.3
[M+K]+ 218.98344 140.8
[M-H]- 179.01300 134.7
[M+Na-2H]- 200.99495 140.7
[M]+ 180.01973 135.6
[M]- 180.02083 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.