CID 50179

F 1668

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC(C(C1=CC=CC=C1)O)NCC2=C(C(=CC=C2)OC)O
InChI
InChI=1S/C17H21NO3/c1-12(16(19)13-7-4-3-5-8-13)18-11-14-9-6-10-15(21-2)17(14)20/h3-10,12,16,18-20H,11H2,1-2H3
InChIKey
QAQTZSBWVPRFJE-UHFFFAOYSA-N
Compound name
2-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 167.9
[M+Na]+ 310.141348 172.4
[M-H]- 286.144854 171.7
[M+NH4]+ 305.185953 181.6
[M+K]+ 326.115288 169.0
[M+H-H2O]+ 270.149390 160.2
[M+HCOO]- 332.150331 187.9
[M+CH3COO]- 346.165981 201.3
[M+Na-2H]- 308.126796 169.9
[M]+ 287.15158142 167.4
[M]- 287.15267858 167.4
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.