CID 4350184

4-bromo-2-{[(2,4-dimethoxyphenyl)amino]methyl}-6-methoxyphenol

Structural Information

Molecular Formula
C16H18BrNO4
SMILES
COC1=CC(=C(C=C1)NCC2=C(C(=CC(=C2)Br)OC)O)OC
InChI
InChI=1S/C16H18BrNO4/c1-20-12-4-5-13(14(8-12)21-2)18-9-10-6-11(17)7-15(22-3)16(10)19/h4-8,18-19H,9H2,1-3H3
InChIKey
OUOPRNABNAIKGP-UHFFFAOYSA-N
Compound name
4-bromo-2-[(2,4-dimethoxyanilino)methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.04193 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.04921 174.7
[M+Na]+ 390.03115 185.3
[M-H]- 366.03465 182.9
[M+NH4]+ 385.07575 190.4
[M+K]+ 406.00509 174.1
[M+H-H2O]+ 350.03919 172.2
[M+HCOO]- 412.04013 195.7
[M+CH3COO]- 426.05578 213.1
[M+Na-2H]- 388.01660 178.8
[M]+ 367.04138 197.5
[M]- 367.04248 197.5
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.