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]+ 181.027556 133.4
[M+Na]+ 203.009498 145.0
[M-H]- 179.013004 133.8
[M+NH4]+ 198.054103 151.1
[M+K]+ 218.983438 140.0
[M+H-H2O]+ 163.017540 126.0
[M+HCOO]- 225.018481 150.2
[M+CH3COO]- 239.034131 146.6
[M+Na-2H]- 200.994946 143.5
[M]+ 180.01973142 133.9
[M]- 180.02082858 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.