CID 5311104

287204-45-9

Structural Information

Molecular Formula
C21H15Cl2FN4O
SMILES
CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F
InChI
InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
InChIKey
SLCFEJAMCRLYRG-UHFFFAOYSA-N
Compound name
6-(2,6-dichlorophenyl)-2-(4-fluoro-3-methylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

139
Patents

428.0607 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.06798 200.3
[M+Na]+ 451.04992 213.8
[M-H]- 427.05342 205.6
[M+NH4]+ 446.09452 208.7
[M+K]+ 467.02386 203.9
[M+H-H2O]+ 411.05796 187.9
[M+HCOO]- 473.05890 209.2
[M+CH3COO]- 487.07455 209.4
[M+Na-2H]- 449.03537 202.5
[M]+ 428.06015 205.1
[M]- 428.06125 205.1
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

patents stripe