CID 3055019

1,3-dioxol-2-one, 4-(1,1'-biphenyl)-4-yl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C27H26N2O3
SMILES
C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H26N2O3/c30-27-31-25(15-16-28-17-19-29(20-18-28)24-9-5-2-6-10-24)26(32-27)23-13-11-22(12-14-23)21-7-3-1-4-8-21/h1-14H,15-20H2
InChIKey
LEIQVIMVTRJBOB-UHFFFAOYSA-N
Compound name
4-(4-phenylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

426.19434 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 205.1
[M+Na]+ 449.18356 210.4
[M-H]- 425.18706 218.4
[M+NH4]+ 444.22816 209.6
[M+K]+ 465.15750 205.6
[M+H-H2O]+ 409.19160 192.2
[M+HCOO]- 471.19254 220.9
[M+CH3COO]- 485.20819 213.2
[M+Na-2H]- 447.16901 204.4
[M]+ 426.19379 203.7
[M]- 426.19489 203.7
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