CID 9631457

4-fluoro-n-(2-(2-(2-methoxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H16FN3O3
SMILES
COC1=CC=CC=C1/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H16FN3O3/c1-24-15-5-3-2-4-13(15)10-20-21-16(22)11-19-17(23)12-6-8-14(18)9-7-12/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
HXMDKYVCRKMDQU-KEBDBYFISA-N
Compound name
4-fluoro-N-[2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11758 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12486 174.8
[M+Na]+ 352.10680 180.0
[M-H]- 328.11030 181.3
[M+NH4]+ 347.15140 188.0
[M+K]+ 368.08074 176.9
[M+H-H2O]+ 312.11484 164.5
[M+HCOO]- 374.11578 200.9
[M+CH3COO]- 388.13143 217.2
[M+Na-2H]- 350.09225 178.5
[M]+ 329.11703 175.0
[M]- 329.11813 175.0
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.