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]+ 360.13542 182.3
[M+Na]+ 382.11736 187.6
[M-H]- 358.12086 188.9
[M+NH4]+ 377.16196 194.4
[M+K]+ 398.09130 185.2
[M+H-H2O]+ 342.12540 171.6
[M+HCOO]- 404.12634 208.1
[M+CH3COO]- 418.14199 223.7
[M+Na-2H]- 380.10281 184.8
[M]+ 359.12759 184.5
[M]- 359.12869 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.