CID 135822491

4-f-n-(2-(2-((2-hydroxy-1-naphthyl)methylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C20H16FN3O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C20H16FN3O3/c21-15-8-5-14(6-9-15)20(27)22-12-19(26)24-23-11-17-16-4-2-1-3-13(16)7-10-18(17)25/h1-11,25H,12H2,(H,22,27)(H,24,26)/b23-11+
InChIKey
IWMCSPPGGFGGEE-FOKLQQMPSA-N
Compound name
4-fluoro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.11758 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12486 182.6
[M+Na]+ 388.10680 188.1
[M-H]- 364.11030 188.6
[M+NH4]+ 383.15140 194.5
[M+K]+ 404.08074 183.3
[M+H-H2O]+ 348.11484 172.3
[M+HCOO]- 410.11578 205.7
[M+CH3COO]- 424.13143 223.0
[M+Na-2H]- 386.09225 187.1
[M]+ 365.11703 181.2
[M]- 365.11813 181.2
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.