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]+ 381.25365 197.1
[M+Na]+ 403.23559 198.9
[M-H]- 379.23909 200.2
[M+NH4]+ 398.28019 204.4
[M+K]+ 419.20953 191.8
[M+H-H2O]+ 363.24363 184.9
[M+HCOO]- 425.24457 211.2
[M+CH3COO]- 439.26022 216.4
[M+Na-2H]- 401.22104 197.3
[M]+ 380.24582 194.2
[M]- 380.24692 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