CID 86676119

Azd4635

Structural Information

Molecular Formula
C15H11ClFN5
SMILES
CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
InChIKey
NCWQLHHDGDXIJN-UHFFFAOYSA-N
Compound name
6-(2-chloro-6-methylpyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1147
Patents

315.0687 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07598 170.9
[M+Na]+ 338.05792 188.4
[M+NH4]+ 333.10252 177.8
[M+K]+ 354.03186 179.9
[M-H]- 314.06142 175.1
[M+Na-2H]- 336.04337 181.6
[M]+ 315.06815 174.9
[M]- 315.06925 174.9
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