CID 9555931

Nsc655518

Structural Information

Molecular Formula
C15H12F3N3O
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H12F3N3O/c1-10(12-3-2-4-13(9-12)15(16,17)18)20-21-14(22)11-5-7-19-8-6-11/h2-9H,1H3,(H,21,22)/b20-10+
InChIKey
KIDKVXVJNIJPAZ-KEBDBYFISA-N
Compound name
N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.09326 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10054 167.0
[M+Na]+ 330.08248 173.6
[M-H]- 306.08598 169.7
[M+NH4]+ 325.12708 180.1
[M+K]+ 346.05642 169.5
[M+H-H2O]+ 290.09052 155.5
[M+HCOO]- 352.09146 187.1
[M+CH3COO]- 366.10711 209.7
[M+Na-2H]- 328.06793 171.8
[M]+ 307.09271 162.5
[M]- 307.09381 162.5
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.