CID 497254

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

Structural Information

Molecular Formula
C16H9Cl3N4O2
SMILES
COC1=CC(=C(C=C1)C2=C(C(=NC3=C2C(=NC(=N3)Cl)Cl)Cl)C#N)OC
InChI
InChI=1S/C16H9Cl3N4O2/c1-24-7-3-4-8(10(5-7)25-2)11-9(6-20)13(17)21-15-12(11)14(18)22-16(19)23-15/h3-5H,1-2H3
InChIKey
NHCTYTCHWNDQKD-UHFFFAOYSA-N
Compound name
2,4,7-trichloro-5-(2,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.9791 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.98638 180.1
[M+Na]+ 416.96832 194.9
[M-H]- 392.97182 180.7
[M+NH4]+ 412.01292 189.1
[M+K]+ 432.94226 186.5
[M+H-H2O]+ 376.97636 165.1
[M+HCOO]- 438.97730 182.2
[M+CH3COO]- 452.99295 188.3
[M+Na-2H]- 414.95377 182.2
[M]+ 393.97855 182.3
[M]- 393.97965 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.