CID 9650085

4(2-(((1,1'-bi-ph)-4-yloxy)ac)carbohydrazonoyl)-2-ethoxy-ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C30H24Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C30H24Cl2N2O5/c1-2-37-28-16-20(8-15-27(28)39-30(36)25-14-11-23(31)17-26(25)32)18-33-34-29(35)19-38-24-12-9-22(10-13-24)21-6-4-3-5-7-21/h3-18H,2,19H2,1H3,(H,34,35)/b33-18+
InChIKey
XQOWTUZYVWMLJI-DPNNOFEESA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1062 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.11348 233.8
[M+Na]+ 585.09542 239.6
[M-H]- 561.09892 246.2
[M+NH4]+ 580.14002 238.6
[M+K]+ 601.06936 233.5
[M+H-H2O]+ 545.10346 222.0
[M+HCOO]- 607.10440 248.3
[M+CH3COO]- 621.12005 254.1
[M+Na-2H]- 583.08087 232.8
[M]+ 562.10565 243.0
[M]- 562.10675 243.0
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.