CID 11989672

2-(5-chloro-2-fluoro-phenyl)-n-[3-(trifluoromethyl)-4-pyridyl]pyrido[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C19H10ClF4N5
SMILES
C1=CC2=C(N=C1)N=C(N=C2NC3=C(C=NC=C3)C(F)(F)F)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C19H10ClF4N5/c20-10-3-4-14(21)12(8-10)18-28-16-11(2-1-6-26-16)17(29-18)27-15-5-7-25-9-13(15)19(22,23)24/h1-9H,(H,25,26,27,28,29)
InChIKey
KZSHSZJOELSVLJ-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-N-[3-(trifluoromethyl)pyridin-4-yl]pyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.0561 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.06338 196.3
[M+Na]+ 442.04532 208.4
[M-H]- 418.04882 196.8
[M+NH4]+ 437.08992 202.4
[M+K]+ 458.01926 197.7
[M+H-H2O]+ 402.05336 180.4
[M+HCOO]- 464.05430 204.4
[M+CH3COO]- 478.06995 203.8
[M+Na-2H]- 440.03077 201.8
[M]+ 419.05555 194.0
[M]- 419.05665 194.0
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.