CID 50189

F 1700

Structural Information

Molecular Formula
C17H20BrNO3
SMILES
CC(C(C1=CC=CC=C1)O)NCC2=C(C(=CC(=C2)Br)OC)O
InChI
InChI=1S/C17H20BrNO3/c1-11(16(20)12-6-4-3-5-7-12)19-10-13-8-14(18)9-15(22-2)17(13)21/h3-9,11,16,19-21H,10H2,1-2H3
InChIKey
MDVYZXNIYVZWOG-UHFFFAOYSA-N
Compound name
4-bromo-2-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.06265 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06993 178.8
[M+Na]+ 388.05187 186.4
[M-H]- 364.05537 184.9
[M+NH4]+ 383.09647 193.1
[M+K]+ 404.02581 174.4
[M+H-H2O]+ 348.05991 176.5
[M+HCOO]- 410.06085 195.9
[M+CH3COO]- 424.07650 211.0
[M+Na-2H]- 386.03732 180.7
[M]+ 365.06210 196.9
[M]- 365.06320 196.9
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.