CID 9682255

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C24H20FN3O4
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C24H20FN3O4/c1-2-16-7-11-18(12-8-16)27-22(29)23(30)28-26-15-17-9-13-19(14-10-17)32-24(31)20-5-3-4-6-21(20)25/h3-15H,2H2,1H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
YITVARLIFUWDAU-CVKSISIWSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1438 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15108 203.6
[M+Na]+ 456.13302 207.5
[M-H]- 432.13652 212.8
[M+NH4]+ 451.17762 211.9
[M+K]+ 472.10696 203.5
[M+H-H2O]+ 416.14106 191.4
[M+HCOO]- 478.14200 227.7
[M+CH3COO]- 492.15765 236.4
[M+Na-2H]- 454.11847 204.5
[M]+ 433.14325 203.8
[M]- 433.14435 203.8
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.