CID 3070905

Alpha-1-(1-((1,4-benzodioxan-2-ylmethyl)amino)ethyl)-p-hydroxybenzyl alcohol hydrochloride

Structural Information

Molecular Formula
C18H21NO4
SMILES
CC(C(C1=CC=C(C=C1)O)O)NCC2COC3=CC=CC=C3O2
InChI
InChI=1S/C18H21NO4/c1-12(18(21)13-6-8-14(20)9-7-13)19-10-15-11-22-16-4-2-3-5-17(16)23-15/h2-9,12,15,18-21H,10-11H2,1H3
InChIKey
LYULCXAERQDJLR-UHFFFAOYSA-N
Compound name
4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 175.1
[M+Na]+ 338.13628 186.8
[M+NH4]+ 333.18088 182.2
[M+K]+ 354.11022 181.6
[M-H]- 314.13978 181.4
[M+Na-2H]- 336.12173 179.8
[M]+ 315.14651 178.4
[M]- 315.14761 178.4
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.