CID 9634926

4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C24H22N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C3=CC=CC=C3)O)OC
InChI
InChI=1S/C24H22N2O6/c1-30-20-13-10-18(14-21(20)31-2)24(29)32-19-11-8-16(9-12-19)15-25-26-23(28)22(27)17-6-4-3-5-7-17/h3-15,22,27H,1-2H3,(H,26,28)/b25-15+
InChIKey
UYEJUKBMVJEAIK-MFKUBSTISA-N
Compound name
[4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1478 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.155076 202.4
[M+Na]+ 457.137018 205.7
[M-H]- 433.140524 211.6
[M+NH4]+ 452.181623 209.9
[M+K]+ 473.110958 203.5
[M+H-H2O]+ 417.145060 191.1
[M+HCOO]- 479.146001 225.1
[M+CH3COO]- 493.161651 232.7
[M+Na-2H]- 455.122466 203.2
[M]+ 434.14725142 206.0
[M]- 434.14834858 206.0
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.