CID 6447147

1-piperazineethanol, 4-(4-(2-(2-phenylethenyl)phenoxy)butyl)-, dihydrochloride

Structural Information

Molecular Formula
C24H32N2O2
SMILES
C1CN(CCN1CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3)CCO
InChI
InChI=1S/C24H32N2O2/c27-20-19-26-17-15-25(16-18-26)14-6-7-21-28-24-11-5-4-10-23(24)13-12-22-8-2-1-3-9-22/h1-5,8-13,27H,6-7,14-21H2/b13-12+
InChIKey
LGJMBQFUNZJGCW-OUKQBFOZSA-N
Compound name
2-[4-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

380.24637 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 197.1
[M+Na]+ 403.235588 198.9
[M-H]- 379.239094 200.2
[M+NH4]+ 398.280193 204.4
[M+K]+ 419.209528 191.8
[M+H-H2O]+ 363.243630 184.9
[M+HCOO]- 425.244571 211.2
[M+CH3COO]- 439.260221 216.4
[M+Na-2H]- 401.221036 197.3
[M]+ 380.24582142 194.2
[M]- 380.24691858 194.2
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

patents stripe