CID 5774568

4-fluoro-n-(2-oxo-2-(2-(3,4,5-trimethoxybenzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C19H20FN3O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H20FN3O5/c1-26-15-8-12(9-16(27-2)18(15)28-3)10-22-23-17(24)11-21-19(25)13-4-6-14(20)7-5-13/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24)/b22-10+
InChIKey
YRPHCOBCMPPLOH-LSHDLFTRSA-N
Compound name
4-fluoro-N-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14598 190.8
[M+Na]+ 412.12792 199.7
[M+NH4]+ 407.17252 194.4
[M+K]+ 428.10186 194.6
[M-H]- 388.13142 192.7
[M+Na-2H]- 410.11337 195.6
[M]+ 389.13815 192.0
[M]- 389.13925 192.0
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.