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

1
Patents

329.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.169996 179.3
[M+Na]+ 352.151938 184.3
[M-H]- 328.155444 185.3
[M+NH4]+ 347.196543 193.3
[M+K]+ 368.125878 182.9
[M+H-H2O]+ 312.159980 172.7
[M+HCOO]- 374.160921 195.9
[M+CH3COO]- 388.176571 207.3
[M+Na-2H]- 350.137386 182.7
[M]+ 329.16217142 180.8
[M]- 329.16326858 180.8
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

patents stripe