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
1
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]+ 410.22383 199.2
[M+Na]+ 432.20577 203.6
[M-H]- 408.20927 204.0
[M+NH4]+ 427.25037 208.3
[M+K]+ 448.17971 196.8
[M+H-H2O]+ 392.21381 187.7
[M+HCOO]- 454.21475 213.4
[M+CH3COO]- 468.23040 206.3
[M+Na-2H]- 430.19122 197.1
[M]+ 409.21600 195.7
[M]- 409.21710 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.