CID 51060268

4-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C30H25ClN2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H25ClN2O5/c1-20(37-24-15-13-23(14-16-24)22-8-4-3-5-9-22)29(34)33-32-19-21-12-17-27(28(18-21)36-2)38-30(35)25-10-6-7-11-26(25)31/h3-20H,1-2H3,(H,33,34)/b32-19+
InChIKey
GQLUQKVBJIIYCQ-BIZUNTBRSA-N
Compound name
[2-methoxy-4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1452 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.15248 228.6
[M+Na]+ 551.13442 243.8
[M+NH4]+ 546.17902 234.3
[M+K]+ 567.10836 234.5
[M-H]- 527.13792 237.3
[M+Na-2H]- 549.11987 239.5
[M]+ 528.14465 233.5
[M]- 528.14575 233.5
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.