CID 9639532

4-(2-(((4-fluorobenzoyl)amino)ac)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C25H22FN3O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C25H22FN3O6/c1-33-21-12-7-18(13-22(21)34-2)25(32)35-20-10-3-16(4-11-20)14-28-29-23(30)15-27-24(31)17-5-8-19(26)9-6-17/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
InChIKey
IXKNAWVGKAZOBD-CCVNUDIWSA-N
Compound name
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
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 212.7
[M+Na]+ 502.13848 216.4
[M-H]- 478.14198 222.0
[M+NH4]+ 497.18308 219.0
[M+K]+ 518.11242 214.1
[M+H-H2O]+ 462.14652 199.9
[M+HCOO]- 524.14746 236.7
[M+CH3COO]- 538.16311 245.7
[M+Na-2H]- 500.12393 212.8
[M]+ 479.14871 216.5
[M]- 479.14981 216.5
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.