CID 9655820

2-methoxy-4-(2-(3-methylbenzoyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula

C₂₃H₁₉BrN₂O₄

SMILES

CC1=CC(=CC=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C23H19BrN2O4/c1-15-5-3-6-17(11-15)22(27)26-25-14-16-9-10-20(21(12-16)29-2)30-23(28)18-7-4-8-19(24)13-18/h3-14H,1-2H3,(H,26,27)/b25-14+

InChIKey

JBOBMFLNVNEOAB-AFUMVMLFSA-N

Compound name

[2-methoxy-4-[(E)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 466.05283 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	467.060106	201.7
[M+Na]+	489.042048	209.5
[M-H]-	465.045554	214.2
[M+NH4]+	484.086653	213.1
[M+K]+	505.015988	198.2
[M+H-H2O]+	449.050090	196.7
[M+HCOO]-	511.051031	223.8
[M+CH3COO]-	525.066681	234.5
[M+Na-2H]-	487.027496	204.1
[M]+	466.05228142	223.0
[M]-	466.05337858	223.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.