CID 45055136

4-fluoro-n-(2-oxo-2-(2-(4-pyridinylmethylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C15H13FN4O2
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)N/N=C/C2=CC=NC=C2)F
InChI
InChI=1S/C15H13FN4O2/c16-13-3-1-12(2-4-13)15(22)18-10-14(21)20-19-9-11-5-7-17-8-6-11/h1-9H,10H2,(H,18,22)(H,20,21)/b19-9+
InChIKey
PLGAYLNFGKMKDI-DJKKODMXSA-N
Compound name
4-fluoro-N-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.10226 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10954 166.5
[M+Na]+ 323.09148 171.8
[M-H]- 299.09498 171.6
[M+NH4]+ 318.13608 179.3
[M+K]+ 339.06542 168.2
[M+H-H2O]+ 283.09952 155.7
[M+HCOO]- 345.10046 191.8
[M+CH3COO]- 359.11611 210.4
[M+Na-2H]- 321.07693 172.3
[M]+ 300.10171 164.7
[M]- 300.10281 164.7
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.