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 179.3
[M+Na]+ 352.15194 184.3
[M-H]- 328.15544 185.3
[M+NH4]+ 347.19654 193.3
[M+K]+ 368.12588 182.9
[M+H-H2O]+ 312.15998 172.7
[M+HCOO]- 374.16092 195.9
[M+CH3COO]- 388.17657 207.3
[M+Na-2H]- 350.13739 182.7
[M]+ 329.16217 180.8
[M]- 329.16327 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