CID 9626720

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

Structural Information

Molecular Formula
C23H18ClFN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18ClFN2O4/c1-2-30-21-13-15(14-26-27-22(28)16-6-10-19(25)11-7-16)3-12-20(21)31-23(29)17-4-8-18(24)9-5-17/h3-14H,2H2,1H3,(H,27,28)/b26-14+
InChIKey
MKKAOVPSLWCREP-VULFUBBASA-N
Compound name
[2-ethoxy-4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0939 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.10118 203.1
[M+Na]+ 463.08312 210.1
[M-H]- 439.08662 212.7
[M+NH4]+ 458.12772 212.8
[M+K]+ 479.05706 204.5
[M+H-H2O]+ 423.09116 192.1
[M+HCOO]- 485.09210 222.9
[M+CH3COO]- 499.10775 233.9
[M+Na-2H]- 461.06857 203.9
[M]+ 440.09335 208.2
[M]- 440.09445 208.2
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.