CID 5415189

Nsc671545

Structural Information

Molecular Formula
C14H10F3N3O
SMILES
C1=CC=C(C=C1)/C(=N\NC(=O)C2=CC=NC=C2)/C(F)(F)F
InChI
InChI=1S/C14H10F3N3O/c15-14(16,17)12(10-4-2-1-3-5-10)19-20-13(21)11-6-8-18-9-7-11/h1-9H,(H,20,21)/b19-12+
InChIKey
HSLNJPGFVWIQSL-XDHOZWIPSA-N
Compound name
N-[(E)-(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.0776 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08488 162.1
[M+Na]+ 316.06682 168.1
[M-H]- 292.07032 164.5
[M+NH4]+ 311.11142 175.3
[M+K]+ 332.04076 164.2
[M+H-H2O]+ 276.07486 150.5
[M+HCOO]- 338.07580 182.5
[M+CH3COO]- 352.09145 205.5
[M+Na-2H]- 314.05227 168.1
[M]+ 293.07705 156.8
[M]- 293.07815 156.8
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.