CID 9636283

4-(2-(diphenoxyacetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H20Cl2N2O5
SMILES
C1=CC=C(C=C1)OC(C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OC4=CC=CC=C4
InChI
InChI=1S/C28H20Cl2N2O5/c29-20-13-16-24(25(30)17-20)27(34)35-23-14-11-19(12-15-23)18-31-32-26(33)28(36-21-7-3-1-4-8-21)37-22-9-5-2-6-10-22/h1-18,28H,(H,32,33)/b31-18+
InChIKey
DJCGRPOOXDPPAG-FDAWAROLSA-N
Compound name
[4-[(E)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.07495 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.08223 223.0
[M+Na]+ 557.06417 227.7
[M-H]- 533.06767 235.3
[M+NH4]+ 552.10877 228.3
[M+K]+ 573.03811 222.3
[M+H-H2O]+ 517.07221 211.7
[M+HCOO]- 579.07315 237.4
[M+CH3COO]- 593.08880 246.9
[M+Na-2H]- 555.04962 223.7
[M]+ 534.07440 230.4
[M]- 534.07550 230.4
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.