CID 3065079

106609-40-9

Structural Information

Molecular Formula
C20H26N2O3
SMILES
COC1=CC=C(C=C1)C2=CC(=C(C=C2)O)CN3CCN(CC3)CCO
InChI
InChI=1S/C20H26N2O3/c1-25-19-5-2-16(3-6-19)17-4-7-20(24)18(14-17)15-22-10-8-21(9-11-22)12-13-23/h2-7,14,23-24H,8-13,15H2,1H3
InChIKey
JFPWAHLELIUHCD-UHFFFAOYSA-N
Compound name
2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 184.5
[M+Na]+ 365.18356 189.1
[M-H]- 341.18706 188.0
[M+NH4]+ 360.22816 193.4
[M+K]+ 381.15750 183.5
[M+H-H2O]+ 325.19160 173.9
[M+HCOO]- 387.19254 198.6
[M+CH3COO]- 401.20819 208.3
[M+Na-2H]- 363.16901 185.1
[M]+ 342.19379 181.8
[M]- 342.19489 181.8
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.