CID 9658020

4-(2-(3,4,5-trimethoxybenzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C24H22N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H22N2O6/c1-29-20-13-18(14-21(30-2)22(20)31-3)23(27)26-25-15-16-9-11-19(12-10-16)32-24(28)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,26,27)/b25-15+
InChIKey
ZMLOGRNDNVCXCW-MFKUBSTISA-N
Compound name
[4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1478 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.155076 203.0
[M+Na]+ 457.137018 207.9
[M-H]- 433.140524 213.9
[M+NH4]+ 452.181623 211.6
[M+K]+ 473.110958 206.0
[M+H-H2O]+ 417.145060 191.3
[M+HCOO]- 479.146001 228.1
[M+CH3COO]- 493.161651 235.2
[M+Na-2H]- 455.122466 204.6
[M]+ 434.14725142 209.4
[M]- 434.14834858 209.4
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.