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]+ 330.169996 179.6
[M+Na]+ 352.151938 183.8
[M-H]- 328.155444 185.1
[M+NH4]+ 347.196543 191.6
[M+K]+ 368.125878 182.7
[M+H-H2O]+ 312.159980 171.7
[M+HCOO]- 374.160921 193.9
[M+CH3COO]- 388.176571 208.1
[M+Na-2H]- 350.137386 184.5
[M]+ 329.16217142 178.9
[M]- 329.16326858 178.9
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.