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]+ 446.253706 209.4
[M+Na]+ 468.235648 211.5
[M-H]- 444.239154 213.7
[M+NH4]+ 463.280253 215.1
[M+K]+ 484.209588 208.3
[M+H-H2O]+ 428.243690 198.3
[M+HCOO]- 490.244631 222.5
[M+CH3COO]- 504.260281 229.0
[M+Na-2H]- 466.221096 205.9
[M]+ 445.24588142 211.9
[M]- 445.24697858 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.