CID 46835219

757251-39-1

Structural Information

Molecular Formula
C13H12FN3O2
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)N)F
InChI
InChI=1S/C13H12FN3O2/c1-16-13(18)12-7-9(4-5-17-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,16,18)
InChIKey
ZQHJPIPGBODVTG-UHFFFAOYSA-N
Compound name
4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

261.09137 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09865 157.2
[M+Na]+ 284.08059 169.0
[M+NH4]+ 279.12519 163.6
[M+K]+ 300.05453 163.3
[M-H]- 260.08409 159.9
[M+Na-2H]- 282.06604 164.7
[M]+ 261.09082 159.3
[M]- 261.09192 159.3
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