CID 214029

27588-38-1

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(C3=CC=C(C=C3)OCC=C)O
InChI
InChI=1S/C26H36N2O3/c1-3-20-31-24-12-10-23(11-13-24)25(29)14-15-27-16-18-28(19-17-27)26(30-4-2)21-22-8-6-5-7-9-22/h3,5-13,25-26,29H,1,4,14-21H2,2H3
InChIKey
HHPKENYJMQZXCW-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-prop-2-enoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.27258 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.27986 209.2
[M+Na]+ 447.26180 220.4
[M+NH4]+ 442.30640 214.5
[M+K]+ 463.23574 212.4
[M-H]- 423.26530 212.9
[M+Na-2H]- 445.24725 215.1
[M]+ 424.27203 211.6
[M]- 424.27313 211.6
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.