CID 9637426

2-ethoxy-4-(2-(2-fluorobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H21FN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2F)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H21FN2O5/c1-3-31-22-14-16(15-26-27-23(28)19-6-4-5-7-20(19)25)8-13-21(22)32-24(29)17-9-11-18(30-2)12-10-17/h4-15H,3H2,1-2H3,(H,27,28)/b26-15+
InChIKey
SRQJAODJWGNMGF-CVKSISIWSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.14346 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15074 203.8
[M+Na]+ 459.13268 209.2
[M-H]- 435.13618 213.3
[M+NH4]+ 454.17728 212.5
[M+K]+ 475.10662 205.8
[M+H-H2O]+ 419.14072 191.4
[M+HCOO]- 481.14166 227.8
[M+CH3COO]- 495.15731 235.6
[M+Na-2H]- 457.11813 204.6
[M]+ 436.14291 207.9
[M]- 436.14401 207.9
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.