CID 50185

F 1696

Structural Information

Molecular Formula
C16H18BrNO2
SMILES
COC1=CC(=CC(=C1O)CNCCC2=CC=CC=C2)Br
InChI
InChI=1S/C16H18BrNO2/c1-20-15-10-14(17)9-13(16(15)19)11-18-8-7-12-5-3-2-4-6-12/h2-6,9-10,18-19H,7-8,11H2,1H3
InChIKey
PNLIAOXSHYIJHF-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxy-6-[(2-phenylethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0521 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05938 170.6
[M+Na]+ 358.04132 174.7
[M+NH4]+ 353.08592 175.1
[M+K]+ 374.01526 172.9
[M-H]- 334.04482 173.5
[M+Na-2H]- 356.02677 175.3
[M]+ 335.05155 170.9
[M]- 335.05265 170.9
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.