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]+ 392.18562 195.2
[M+Na]+ 414.16756 198.2
[M-H]- 390.17106 203.4
[M+NH4]+ 409.21216 202.1
[M+K]+ 430.14150 195.6
[M+H-H2O]+ 374.17560 185.2
[M+HCOO]- 436.17654 209.0
[M+CH3COO]- 450.19219 202.8
[M+Na-2H]- 412.15301 197.9
[M]+ 391.17779 193.4
[M]- 391.17889 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.