CID 3070907

87081-18-3

Structural Information

Molecular Formula
C24H25NO4
SMILES
CC(C(C1=CC=C(C=C1)O)O)NCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C24H25NO4/c1-16(23(27)17-11-13-19(26)14-12-17)25-15-22-24(18-7-3-2-4-8-18)29-21-10-6-5-9-20(21)28-22/h2-14,16,22-27H,15H2,1H3
InChIKey
DMCJALJJHDQMGK-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[(3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.185616 195.2
[M+Na]+ 414.167558 198.2
[M-H]- 390.171064 203.4
[M+NH4]+ 409.212163 202.1
[M+K]+ 430.141498 195.6
[M+H-H2O]+ 374.175600 185.2
[M+HCOO]- 436.176541 209.0
[M+CH3COO]- 450.192191 202.8
[M+Na-2H]- 412.153006 197.9
[M]+ 391.17779142 193.4
[M]- 391.17888858 193.4
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.