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]+ 288.15941 167.9
[M+Na]+ 310.14135 172.4
[M-H]- 286.14485 171.7
[M+NH4]+ 305.18595 181.6
[M+K]+ 326.11529 169.0
[M+H-H2O]+ 270.14939 160.2
[M+HCOO]- 332.15033 187.9
[M+CH3COO]- 346.16598 201.3
[M+Na-2H]- 308.12680 169.9
[M]+ 287.15158 167.4
[M]- 287.15268 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.