CID 4148300

3-(2-(phenoxyacetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C22H17ClN2O4
SMILES
C1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H17ClN2O4/c23-18-11-9-17(10-12-18)22(27)29-20-8-4-5-16(13-20)14-24-25-21(26)15-28-19-6-2-1-3-7-19/h1-14H,15H2,(H,25,26)
InChIKey
SKBPBCFXKRLELZ-UHFFFAOYSA-N
Compound name
[3-[[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08768 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09496 195.8
[M+Na]+ 431.07690 210.1
[M+NH4]+ 426.12150 202.4
[M+K]+ 447.05084 201.3
[M-H]- 407.08040 202.4
[M+Na-2H]- 429.06235 206.1
[M]+ 408.08713 199.9
[M]- 408.08823 199.9
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.