CID 9622585

4-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)-2-ethoxyphenyl benzoate

Structural Information

Molecular Formula
C30H25ClN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H25ClN2O5/c1-2-36-28-18-22(10-17-27(28)38-30(35)24-6-4-3-5-7-24)19-32-33-29(34)23-11-15-26(16-12-23)37-20-21-8-13-25(31)14-9-21/h3-19H,2,20H2,1H3,(H,33,34)/b32-19+
InChIKey
AOAKQGPHEZAOKX-BIZUNTBRSA-N
Compound name
[4-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1452 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.15248 228.6
[M+Na]+ 551.13442 233.0
[M-H]- 527.13792 241.4
[M+NH4]+ 546.17902 233.7
[M+K]+ 567.10836 227.5
[M+H-H2O]+ 511.14246 215.8
[M+HCOO]- 573.14340 248.0
[M+CH3COO]- 587.15905 249.7
[M+Na-2H]- 549.11987 228.9
[M]+ 528.14465 235.4
[M]- 528.14575 235.4
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.