CID 9639262

4-(2-(((3,4-dimethoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C25H22FN3O6
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F)OC
InChI
InChI=1S/C25H22FN3O6/c1-33-21-12-9-17(13-22(21)34-2)24(31)27-15-23(30)29-28-14-16-7-10-18(11-8-16)35-25(32)19-5-3-4-6-20(19)26/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
InChIKey
TVCOVSBSAKYEFD-CCVNUDIWSA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.14926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.15654 213.3
[M+Na]+ 502.13848 223.0
[M+NH4]+ 497.18308 216.1
[M+K]+ 518.11242 217.4
[M-H]- 478.14198 217.0
[M+Na-2H]- 500.12393 219.9
[M]+ 479.14871 215.2
[M]- 479.14981 215.2
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.