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 167.7
[M+Na]+ 319.09655 176.2
[M-H]- 295.10005 171.1
[M+NH4]+ 314.14115 177.4
[M+K]+ 335.07049 169.2
[M+H-H2O]+ 279.10459 155.7
[M+HCOO]- 341.10553 187.1
[M+CH3COO]- 355.12118 177.6
[M+Na-2H]- 317.08200 174.6
[M]+ 296.10678 165.2
[M]- 296.10788 165.2
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.