CID 9654825

4-(2-((2-methoxyphenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C23H20N2O5
SMILES
COC1=CC=CC=C1OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H20N2O5/c1-28-20-9-5-6-10-21(20)29-16-22(26)25-24-15-17-11-13-19(14-12-17)30-23(27)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,25,26)/b24-15+
InChIKey
TXOVHFSBEBQQHW-BUVRLJJBSA-N
Compound name
[4-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1372 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.144476 195.5
[M+Na]+ 427.126418 199.4
[M-H]- 403.129924 205.8
[M+NH4]+ 422.171023 204.9
[M+K]+ 443.100358 196.5
[M+H-H2O]+ 387.134460 184.0
[M+HCOO]- 449.135401 220.9
[M+CH3COO]- 463.151051 227.5
[M+Na-2H]- 425.111866 198.9
[M]+ 404.13665142 199.3
[M]- 404.13774858 199.3
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.