CID 3040520

52401-17-9

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC(C(C1=CC=C(C=C1)O)O)NCCC2(OC3=CC=CC=C3O2)C
InChI
InChI=1S/C19H23NO4/c1-13(18(22)14-7-9-15(21)10-8-14)20-12-11-19(2)23-16-5-3-4-6-17(16)24-19/h3-10,13,18,20-22H,11-12H2,1-2H3
InChIKey
FYGGTSXXYATVAG-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylamino]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 178.5
[M+Na]+ 352.15194 189.0
[M+NH4]+ 347.19654 186.6
[M+K]+ 368.12588 184.1
[M-H]- 328.15544 183.9
[M+Na-2H]- 350.13739 183.5
[M]+ 329.16217 181.5
[M]- 329.16327 181.5
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.