CID 3070909

87081-19-4

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC(C(C1=CC=C(C=C1)O)O)NCC2(COC3=CC=CC=C3O2)C
InChI
InChI=1S/C19H23NO4/c1-13(18(22)14-7-9-15(21)10-8-14)20-11-19(2)12-23-16-5-3-4-6-17(16)24-19/h3-10,13,18,20-22H,11-12H2,1-2H3
InChIKey
JMOOUPZQYJTZSM-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 179.0
[M+Na]+ 352.15194 190.7
[M+NH4]+ 347.19654 187.4
[M+K]+ 368.12588 183.5
[M-H]- 328.15544 185.3
[M+Na-2H]- 350.13739 185.0
[M]+ 329.16217 182.5
[M]- 329.16327 182.5
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.