CID 13773468

Cor 2865

Structural Information

Molecular Formula
C24H34N2O3
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CCOC3=C(C=C(C(=C3)C)O)C(C)C
InChI
InChI=1S/C24H34N2O3/c1-5-28-23-9-7-6-8-21(23)26-12-10-25(11-13-26)14-15-29-24-16-19(4)22(27)17-20(24)18(2)3/h6-9,16-18,27H,5,10-15H2,1-4H3
InChIKey
WFNFGAMKHDGWNF-UHFFFAOYSA-N
Compound name
4-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.25696 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26424 201.9
[M+Na]+ 421.24618 205.7
[M-H]- 397.24968 206.4
[M+NH4]+ 416.29078 209.3
[M+K]+ 437.22012 200.8
[M+H-H2O]+ 381.25422 190.5
[M+HCOO]- 443.25516 215.1
[M+CH3COO]- 457.27081 224.4
[M+Na-2H]- 419.23163 198.9
[M]+ 398.25641 202.1
[M]- 398.25751 202.1
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.