CID 9651415

4-(2-((4-butoxyphenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl benzoate

Structural Information

Molecular Formula
C27H28N2O6
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C27H28N2O6/c1-3-4-16-33-22-11-13-23(14-12-22)34-19-26(30)29-28-18-20-10-15-24(25(17-20)32-2)35-27(31)21-8-6-5-7-9-21/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,29,30)/b28-18+
InChIKey
ZDKMYJOJHUKOPI-MTDXEUNCSA-N
Compound name
[4-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.19473 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.20201 215.9
[M+Na]+ 499.18395 218.5
[M-H]- 475.18745 225.6
[M+NH4]+ 494.22855 222.4
[M+K]+ 515.15789 215.9
[M+H-H2O]+ 459.19199 203.4
[M+HCOO]- 521.19293 239.9
[M+CH3COO]- 535.20858 242.5
[M+Na-2H]- 497.16940 216.6
[M]+ 476.19418 222.7
[M]- 476.19528 222.7
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.