CID 51060861

Methyl 4-((2-(2-(3,4-dimethoxybenzoyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C25H24N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC)OC
InChI
InChI=1S/C25H24N2O6/c1-30-22-13-12-19(14-23(22)31-2)24(28)27-26-15-20-6-4-5-7-21(20)33-16-17-8-10-18(11-9-17)25(29)32-3/h4-15H,16H2,1-3H3,(H,27,28)/b26-15+
InChIKey
LKRSOZDYUXETSI-CVKSISIWSA-N
Compound name
methyl 4-[[2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16342 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17070 207.4
[M+Na]+ 471.15264 211.9
[M-H]- 447.15614 218.1
[M+NH4]+ 466.19724 215.5
[M+K]+ 487.12658 209.8
[M+H-H2O]+ 431.16068 195.6
[M+HCOO]- 493.16162 232.2
[M+CH3COO]- 507.17727 238.1
[M+Na-2H]- 469.13809 208.5
[M]+ 448.16287 214.2
[M]- 448.16397 214.2
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.