CID 9619544

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

Structural Information

Molecular Formula
C25H24N2O7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C25H24N2O7/c1-30-20-12-16(10-11-19(20)34-25(29)17-8-6-5-7-9-17)15-26-27-24(28)18-13-21(31-2)23(33-4)22(14-18)32-3/h5-15H,1-4H3,(H,27,28)/b26-15+
InChIKey
FCJXKDPYJXQCOR-CVKSISIWSA-N
Compound name
[2-methoxy-4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.15836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.16564 209.8
[M+Na]+ 487.14758 214.9
[M-H]- 463.15108 220.9
[M+NH4]+ 482.19218 217.4
[M+K]+ 503.12152 213.8
[M+H-H2O]+ 447.15562 197.9
[M+HCOO]- 509.15656 234.7
[M+CH3COO]- 523.17221 241.7
[M+Na-2H]- 485.13303 210.5
[M]+ 464.15781 218.4
[M]- 464.15891 218.4
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.