CID 9633826

3-(2-(2-(4-(benzyloxy)phenoxy)propanoyl)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C30H24Cl2N2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C30H24Cl2N2O5/c1-20(38-25-13-11-24(12-14-25)37-19-21-6-3-2-4-7-21)29(35)34-33-18-22-8-5-9-26(16-22)39-30(36)27-15-10-23(31)17-28(27)32/h2-18,20H,19H2,1H3,(H,34,35)/b33-18+
InChIKey
QMDUZGNUCXCCPG-DPNNOFEESA-N
Compound name
[3-[(E)-[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1062 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.11348 234.1
[M+Na]+ 585.09542 249.8
[M+NH4]+ 580.14002 239.9
[M+K]+ 601.06936 239.7
[M-H]- 561.09892 242.5
[M+Na-2H]- 583.08087 244.7
[M]+ 562.10565 239.4
[M]- 562.10675 239.4
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.