CID 169452183

Chembl5419392

Structural Information

Molecular Formula
C16H13FN4O
SMILES
C1=CC(=C(N=C1)NCC2=C(C=C(C=C2)F)O)C3=NC=NC=C3
InChI
InChI=1S/C16H13FN4O/c17-12-4-3-11(15(22)8-12)9-20-16-13(2-1-6-19-16)14-5-7-18-10-21-14/h1-8,10,22H,9H2,(H,19,20)
InChIKey
GEXFOIODJDMVND-UHFFFAOYSA-N
Compound name
5-fluoro-2-[[(3-pyrimidin-4-ylpyridin-2-yl)amino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.10733 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11461 168.2
[M+Na]+ 319.09655 183.6
[M+NH4]+ 314.14115 174.8
[M+K]+ 335.07049 175.7
[M-H]- 295.10005 172.3
[M+Na-2H]- 317.08200 179.1
[M]+ 296.10678 171.5
[M]- 296.10788 171.5
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.