CID 3021338

Phenol, 4-(3-(2,4-dimethoxy-6-(2-(1-piperidinyl)ethoxy)phenyl)propyl)-

Structural Information

Molecular Formula
C24H33NO4
SMILES
COC1=CC(=C(C(=C1)OCCN2CCCCC2)CCCC3=CC=C(C=C3)O)OC
InChI
InChI=1S/C24H33NO4/c1-27-21-17-23(28-2)22(8-6-7-19-9-11-20(26)12-10-19)24(18-21)29-16-15-25-13-4-3-5-14-25/h9-12,17-18,26H,3-8,13-16H2,1-2H3
InChIKey
XKGZFSUDWQDHAH-UHFFFAOYSA-N
Compound name
4-[3-[2,4-dimethoxy-6-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.24097 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.24825 200.1
[M+Na]+ 422.23019 203.0
[M-H]- 398.23369 205.5
[M+NH4]+ 417.27479 208.5
[M+K]+ 438.20413 198.5
[M+H-H2O]+ 382.23823 188.9
[M+HCOO]- 444.23917 215.7
[M+CH3COO]- 458.25482 221.7
[M+Na-2H]- 420.21564 199.0
[M]+ 399.24042 201.3
[M]- 399.24152 201.3
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.