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]+ 435.15508 203.0
[M+Na]+ 457.13702 207.9
[M-H]- 433.14052 213.9
[M+NH4]+ 452.18162 211.6
[M+K]+ 473.11096 206.0
[M+H-H2O]+ 417.14506 191.3
[M+HCOO]- 479.14600 228.1
[M+CH3COO]- 493.16165 235.2
[M+Na-2H]- 455.12247 204.6
[M]+ 434.14725 209.4
[M]- 434.14835 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.