CID 45054534

4-fluoro-n-(2-oxo-2-(2-(3-phenoxybenzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C22H18FN3O3
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H18FN3O3/c23-18-11-9-17(10-12-18)22(28)24-15-21(27)26-25-14-16-5-4-8-20(13-16)29-19-6-2-1-3-7-19/h1-14H,15H2,(H,24,28)(H,26,27)/b25-14+
InChIKey
WRCYBRXFNLAKME-AFUMVMLFSA-N
Compound name
4-fluoro-N-[2-oxo-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1332 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14048 191.4
[M+Na]+ 414.12242 195.4
[M-H]- 390.12592 200.4
[M+NH4]+ 409.16702 201.2
[M+K]+ 430.09636 190.8
[M+H-H2O]+ 374.13046 179.3
[M+HCOO]- 436.13140 216.8
[M+CH3COO]- 450.14705 228.1
[M+Na-2H]- 412.10787 195.1
[M]+ 391.13265 190.6
[M]- 391.13375 190.6
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.