CID 51060952

N-(2-(2-(2,3-dimethoxybenzylidene)hydrazino)-2-oxoethyl)-4-fluorobenzamide

Structural Information

Molecular Formula
C18H18FN3O4
SMILES
COC1=CC=CC(=C1OC)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C18H18FN3O4/c1-25-15-5-3-4-13(17(15)26-2)10-21-22-16(23)11-20-18(24)12-6-8-14(19)9-7-12/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)/b21-10+
InChIKey
ZLBJHHHHPSSWHA-UFFVCSGVSA-N
Compound name
N-[2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.12814 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.135416 182.3
[M+Na]+ 382.117358 187.6
[M-H]- 358.120864 188.9
[M+NH4]+ 377.161963 194.4
[M+K]+ 398.091298 185.2
[M+H-H2O]+ 342.125400 171.6
[M+HCOO]- 404.126341 208.1
[M+CH3COO]- 418.141991 223.7
[M+Na-2H]- 380.102806 184.8
[M]+ 359.12759142 184.5
[M]- 359.12868858 184.5
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.