CID 9632422

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

Structural Information

Molecular Formula
C19H20FN3O5
SMILES
COC1=CC(=C(C=C1/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F)OC)OC
InChI
InChI=1S/C19H20FN3O5/c1-26-15-9-17(28-3)16(27-2)8-13(15)10-22-23-18(24)11-21-19(25)12-4-6-14(20)7-5-12/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24)/b22-10+
InChIKey
HKEMXWDFSOZQGP-LSHDLFTRSA-N
Compound name
4-fluoro-N-[2-oxo-2-[(2E)-2-[(2,4,5-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 189.4
[M+Na]+ 412.12792 195.0
[M-H]- 388.13142 196.2
[M+NH4]+ 407.17252 200.5
[M+K]+ 428.10186 193.2
[M+H-H2O]+ 372.13596 178.6
[M+HCOO]- 434.13690 215.0
[M+CH3COO]- 448.15255 230.2
[M+Na-2H]- 410.11337 190.9
[M]+ 389.13815 193.9
[M]- 389.13925 193.9
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.