CID 135595299

52073-50-4

Structural Information

Molecular Formula

C₁₅H₁₄BrNO₃

SMILES

COC1=CC(=CC(=C1)N=CC2=C(C=CC(=C2)Br)O)OC

InChI

InChI=1S/C15H14BrNO3/c1-19-13-6-12(7-14(8-13)20-2)17-9-10-5-11(16)3-4-15(10)18/h3-9,18H,1-2H3

InChIKey

IVJUYNWOJFQFAT-UHFFFAOYSA-N

Compound name

4-bromo-2-[(3,5-dimethoxyphenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.01572 Da
Monoisotopic Mass: 3.5
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]+	336.022996	166.1
[M+Na]+	358.004938	177.5
[M-H]-	334.008444	175.6
[M+NH4]+	353.049543	183.6
[M+K]+	373.978878	166.1
[M+H-H2O]+	318.012980	164.0
[M+HCOO]-	380.013921	189.0
[M+CH3COO]-	394.029571	208.0
[M+Na-2H]-	355.990386	171.8
[M]+	335.01517142	188.0
[M]-	335.01626858	188.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.