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 179.6
[M+Na]+ 352.15194 183.8
[M-H]- 328.15544 185.1
[M+NH4]+ 347.19654 191.6
[M+K]+ 368.12588 182.7
[M+H-H2O]+ 312.15998 171.7
[M+HCOO]- 374.16092 193.9
[M+CH3COO]- 388.17657 208.1
[M+Na-2H]- 350.13739 184.5
[M]+ 329.16217 178.9
[M]- 329.16327 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.