CID 16771398

N-(2-amino-4-fluorophenyl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C12H10FN3O
SMILES
C1=CC=NC(=C1)C(=O)NC2=C(C=C(C=C2)F)N
InChI
InChI=1S/C12H10FN3O/c13-8-4-5-10(9(14)7-8)16-12(17)11-3-1-2-6-15-11/h1-7H,14H2,(H,16,17)
InChIKey
YKGHZEOTRPIFLB-UHFFFAOYSA-N
Compound name
N-(2-amino-4-fluorophenyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08808 148.8
[M+Na]+ 254.07002 156.6
[M-H]- 230.07352 152.9
[M+NH4]+ 249.11462 164.4
[M+K]+ 270.04396 152.4
[M+H-H2O]+ 214.07806 139.6
[M+HCOO]- 276.07900 172.4
[M+CH3COO]- 290.09465 194.3
[M+Na-2H]- 252.05547 154.6
[M]+ 231.08025 145.0
[M]- 231.08135 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.