CID 24834697

88770-67-6

Structural Information

Molecular Formula
C25H35NO6
SMILES
COC1=CC(=C(C(=C1C(CCC2=CC=C(C=C2)O)O)OCCN3CCCCC3)OC)OC
InChI
InChI=1S/C25H35NO6/c1-29-21-17-22(30-2)24(31-3)25(32-16-15-26-13-5-4-6-14-26)23(21)20(28)12-9-18-7-10-19(27)11-8-18/h7-8,10-11,17,20,27-28H,4-6,9,12-16H2,1-3H3
InChIKey
CPHOKSZEIIFVTL-UHFFFAOYSA-N
Compound name
4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.24643 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.25371 209.4
[M+Na]+ 468.23565 211.5
[M-H]- 444.23915 213.7
[M+NH4]+ 463.28025 215.1
[M+K]+ 484.20959 208.3
[M+H-H2O]+ 428.24369 198.3
[M+HCOO]- 490.24463 222.5
[M+CH3COO]- 504.26028 229.0
[M+Na-2H]- 466.22110 205.9
[M]+ 445.24588 211.9
[M]- 445.24698 211.9
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.