CID 9623332

4-(2-(2-(4-chlorophenoxy)propanoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C23H19ClN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H19ClN2O4/c1-16(29-20-13-9-19(24)10-14-20)22(27)26-25-15-17-7-11-21(12-8-17)30-23(28)18-5-3-2-4-6-18/h2-16H,1H3,(H,26,27)/b25-15+
InChIKey
OHJMWYKQFCPDAB-MFKUBSTISA-N
Compound name
[4-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.10333 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11061 199.6
[M+Na]+ 445.09255 204.4
[M-H]- 421.09605 209.9
[M+NH4]+ 440.13715 209.4
[M+K]+ 461.06649 199.7
[M+H-H2O]+ 405.10059 189.4
[M+HCOO]- 467.10153 219.5
[M+CH3COO]- 481.11718 229.7
[M+Na-2H]- 443.07800 201.3
[M]+ 422.10278 204.3
[M]- 422.10388 204.3
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.