CID 10320390

1-(4-allyloxyphenyl)-2-(4-diphenylmethylpiperazinyl)ethanol monohydrochloride

Structural Information

Molecular Formula
C28H32N2O2
SMILES
C=CCOC1=CC=C(C=C1)C(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C28H32N2O2/c1-2-21-32-26-15-13-23(14-16-26)27(31)22-29-17-19-30(20-18-29)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h2-16,27-28,31H,1,17-22H2
InChIKey
IAXIMEGAMWDCBC-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(4-prop-2-enoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

428.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 207.8
[M+Na]+ 451.23559 208.1
[M-H]- 427.23909 213.7
[M+NH4]+ 446.28019 211.9
[M+K]+ 467.20953 200.8
[M+H-H2O]+ 411.24363 194.3
[M+HCOO]- 473.24457 219.5
[M+CH3COO]- 487.26022 212.7
[M+Na-2H]- 449.22104 206.1
[M]+ 428.24582 202.2
[M]- 428.24692 202.2
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