CID 154699752

Ns00117490

Structural Information

Molecular Formula
C24H28FN3O2
SMILES
CNC(=O)CC1=CC2=C(C=C1)C=CN2C3CCN(CC3)CC(C4=CC=CC=C4F)O
InChI
InChI=1S/C24H28FN3O2/c1-26-24(30)15-17-6-7-18-8-13-28(22(18)14-17)19-9-11-27(12-10-19)16-23(29)20-4-2-3-5-21(20)25/h2-8,13-14,19,23,29H,9-12,15-16H2,1H3,(H,26,30)
InChIKey
KUSDQXXHLZTPLH-UHFFFAOYSA-N
Compound name
2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

409.21655 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.223826 199.2
[M+Na]+ 432.205768 203.6
[M-H]- 408.209274 204.0
[M+NH4]+ 427.250373 208.3
[M+K]+ 448.179708 196.8
[M+H-H2O]+ 392.213810 187.7
[M+HCOO]- 454.214751 213.4
[M+CH3COO]- 468.230401 206.3
[M+Na-2H]- 430.191216 197.1
[M]+ 409.21600142 195.7
[M]- 409.21709858 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.