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
Annotation Hits

0
References

0
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 133.4
[M+Na]+ 203.00950 145.0
[M-H]- 179.01300 133.8
[M+NH4]+ 198.05410 151.1
[M+K]+ 218.98344 140.0
[M+H-H2O]+ 163.01754 126.0
[M+HCOO]- 225.01848 150.2
[M+CH3COO]- 239.03413 146.6
[M+Na-2H]- 200.99495 143.5
[M]+ 180.01973 133.9
[M]- 180.02083 133.9
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

No patent data available for this compound.