CID 51060400

4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C23H19ClN2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H19ClN2O5/c1-30-20-13-15(14-25-26-22(28)21(27)16-7-3-2-4-8-16)11-12-19(20)31-23(29)17-9-5-6-10-18(17)24/h2-14,21,27H,1H3,(H,26,28)/b25-14+
InChIKey
GIMJMMRJMGLGHU-AFUMVMLFSA-N
Compound name
[4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.09824 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.10552 202.4
[M+Na]+ 461.08746 215.4
[M+NH4]+ 456.13206 207.8
[M+K]+ 477.06140 208.4
[M-H]- 437.09096 207.9
[M+Na-2H]- 459.07291 211.0
[M]+ 438.09769 205.9
[M]- 438.09879 205.9
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.