CID 3054785

4-piperidinol, 4-phenyl-1-(2-(2-phenyl-1h-indol-3-yl)ethyl)-

Structural Information

Molecular Formula
C27H28N2O
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCC3=C(NC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C27H28N2O/c30-27(22-11-5-2-6-12-22)16-19-29(20-17-27)18-15-24-23-13-7-8-14-25(23)28-26(24)21-9-3-1-4-10-21/h1-14,28,30H,15-20H2
InChIKey
FECFUOSVSUDKOJ-UHFFFAOYSA-N
Compound name
4-phenyl-1-[2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.22015 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22743 199.0
[M+Na]+ 419.20937 204.4
[M-H]- 395.21287 206.5
[M+NH4]+ 414.25397 209.5
[M+K]+ 435.18331 195.0
[M+H-H2O]+ 379.21741 186.7
[M+HCOO]- 441.21835 213.4
[M+CH3COO]- 455.23400 206.3
[M+Na-2H]- 417.19482 200.3
[M]+ 396.21960 193.8
[M]- 396.22070 193.8
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