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 208.1
[M+Na]+ 447.26180 208.0
[M-H]- 423.26530 210.9
[M+NH4]+ 442.30640 213.1
[M+K]+ 463.23574 202.4
[M+H-H2O]+ 407.26984 195.8
[M+HCOO]- 469.27078 219.7
[M+CH3COO]- 483.28643 226.6
[M+Na-2H]- 445.24725 205.2
[M]+ 424.27203 206.2
[M]- 424.27313 206.2
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.