CID 9632924

4-(2-((4-fluorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C24H21FN2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)F
InChI
InChI=1S/C24H21FN2O5/c1-2-30-20-11-5-18(6-12-20)24(29)32-22-9-3-17(4-10-22)15-26-27-23(28)16-31-21-13-7-19(25)8-14-21/h3-15H,2,16H2,1H3,(H,27,28)/b26-15+
InChIKey
JHTBDDGKFZDHAG-CVKSISIWSA-N
Compound name
[4-[(E)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
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 203.4
[M+Na]+ 459.13268 207.8
[M-H]- 435.13618 212.5
[M+NH4]+ 454.17728 211.8
[M+K]+ 475.10662 204.4
[M+H-H2O]+ 419.14072 190.9
[M+HCOO]- 481.14166 227.4
[M+CH3COO]- 495.15731 234.3
[M+Na-2H]- 457.11813 205.0
[M]+ 436.14291 207.0
[M]- 436.14401 207.0
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.