CID 9632707

3-(2-((4-allyl-2-methoxyphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H23ClN2O5
SMILES
COC1=C(C=CC(=C1)CC=C)OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H23ClN2O5/c1-3-5-18-8-13-23(24(15-18)32-2)33-17-25(30)29-28-16-19-6-4-7-22(14-19)34-26(31)20-9-11-21(27)12-10-20/h3-4,6-16H,1,5,17H2,2H3,(H,29,30)/b28-16+
InChIKey
UQQVXYVMCHOOAP-LQKURTRISA-N
Compound name
[3-[(E)-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.12955 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.13683 215.1
[M+Na]+ 501.11877 220.7
[M-H]- 477.12227 225.5
[M+NH4]+ 496.16337 223.1
[M+K]+ 517.09271 215.3
[M+H-H2O]+ 461.12681 204.3
[M+HCOO]- 523.12775 235.3
[M+CH3COO]- 537.14340 241.5
[M+Na-2H]- 499.10422 215.1
[M]+ 478.12900 222.9
[M]- 478.13010 222.9
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.