CID 51060290

4-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C24H20Cl2N2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O4/c1-15-4-3-5-18(12-15)24(30)32-20-9-6-17(7-10-20)14-27-28-23(29)16(2)31-22-11-8-19(25)13-21(22)26/h3-14,16H,1-2H3,(H,28,29)/b27-14+
InChIKey
CENHFDVTROZNPQ-MZJWZYIUSA-N
Compound name
[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.08002 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.08730 209.4
[M+Na]+ 493.06924 216.0
[M-H]- 469.07274 219.6
[M+NH4]+ 488.11384 218.6
[M+K]+ 509.04318 210.4
[M+H-H2O]+ 453.07728 200.3
[M+HCOO]- 515.07822 224.0
[M+CH3COO]- 529.09387 238.6
[M+Na-2H]- 491.05469 208.6
[M]+ 470.07947 217.1
[M]- 470.08057 217.1
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.