CID 51060222

4-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C31H26Cl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C31H26Cl2N2O5/c1-3-38-29-17-21(9-16-28(29)40-31(37)26-15-12-24(32)18-27(26)33)19-34-35-30(36)20(2)39-25-13-10-23(11-14-25)22-7-5-4-6-8-22/h4-20H,3H2,1-2H3,(H,35,36)/b34-19+
InChIKey
MVBGULLHVFPNCJ-ALQBTCKLSA-N
Compound name
[2-ethoxy-4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.1219 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.12918 237.0
[M+Na]+ 599.11112 242.0
[M-H]- 575.11462 249.4
[M+NH4]+ 594.15572 241.1
[M+K]+ 615.08506 236.4
[M+H-H2O]+ 559.11916 225.3
[M+HCOO]- 621.12010 250.3
[M+CH3COO]- 635.13575 257.7
[M+Na-2H]- 597.09657 234.6
[M]+ 576.12135 246.1
[M]- 576.12245 246.1
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.