CID 497253

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

Structural Information

Molecular Formula
C14H5Cl3N4O
SMILES
C1=CC(=CC(=C1)O)C2=C(C(=NC3=C2C(=NC(=N3)Cl)Cl)Cl)C#N
InChI
InChI=1S/C14H5Cl3N4O/c15-11-8(5-18)9(6-2-1-3-7(22)4-6)10-12(16)20-14(17)21-13(10)19-11/h1-4,22H
InChIKey
FXJDYGPWMJCBJF-UHFFFAOYSA-N
Compound name
2,4,7-trichloro-5-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.95288 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.96016 171.6
[M+Na]+ 372.94210 186.4
[M-H]- 348.94560 171.0
[M+NH4]+ 367.98670 181.4
[M+K]+ 388.91604 176.8
[M+H-H2O]+ 332.95014 157.3
[M+HCOO]- 394.95108 172.9
[M+CH3COO]- 408.96673 179.8
[M+Na-2H]- 370.92755 174.7
[M]+ 349.95233 170.1
[M]- 349.95343 170.1
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.