CID 51061052

4-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)-2-methoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C30H25ClN2O6
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C30H25ClN2O6/c1-36-25-12-8-23(9-13-25)30(35)39-27-16-5-21(17-28(27)37-2)18-32-33-29(34)22-6-14-26(15-7-22)38-19-20-3-10-24(31)11-4-20/h3-18H,19H2,1-2H3,(H,33,34)/b32-18+
InChIKey
PEOCNYZIHWWPBD-KCSSXMTESA-N
Compound name
[4-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.14014 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.14742 231.2
[M+Na]+ 567.12936 236.0
[M-H]- 543.13286 244.4
[M+NH4]+ 562.17396 235.7
[M+K]+ 583.10330 231.7
[M+H-H2O]+ 527.13740 218.3
[M+HCOO]- 589.13834 250.7
[M+CH3COO]- 603.15399 253.1
[M+Na-2H]- 565.11481 231.0
[M]+ 544.13959 239.8
[M]- 544.14069 239.8
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.