CID 497026

5-(4-bromophenyl)-2,4,7-trichloro-pyrido[2,3-d]pyrimidine-6-carbonitrile

Structural Information

Molecular Formula
C14H4BrCl3N4
SMILES
C1=CC(=CC=C1C2=C(C(=NC3=C2C(=NC(=N3)Cl)Cl)Cl)C#N)Br
InChI
InChI=1S/C14H4BrCl3N4/c15-7-3-1-6(2-4-7)9-8(5-19)11(16)20-13-10(9)12(17)21-14(18)22-13/h1-4H
InChIKey
FJJWYHGQTAQOJR-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2,4,7-trichloropyrido[2,3-d]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.8685 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.87578 169.6
[M+Na]+ 434.85772 187.7
[M-H]- 410.86122 171.6
[M+NH4]+ 429.90232 181.7
[M+K]+ 450.83166 171.0
[M+H-H2O]+ 394.86576 161.5
[M+HCOO]- 456.86670 173.0
[M+CH3COO]- 470.88235 180.1
[M+Na-2H]- 432.84317 174.6
[M]+ 411.86795 184.6
[M]- 411.86905 184.6
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.