CID 131770012

Chebi:168257

Structural Information

Molecular Formula
C24H28FN3O3
SMILES
CNC(=O)C(C1=CC2=C(C=CN2C3CCN(CC3)CCC4=CC=CC=C4F)C(=C1)O)O
InChI
InChI=1S/C24H28FN3O3/c1-26-24(31)23(30)17-14-21-19(22(29)15-17)9-13-28(21)18-7-11-27(12-8-18)10-6-16-4-2-3-5-20(16)25/h2-5,9,13-15,18,23,29-30H,6-8,10-12H2,1H3,(H,26,31)
InChIKey
KMSSEFLPBNDJAH-UHFFFAOYSA-N
Compound name
2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-4-hydroxyindol-6-yl]-2-hydroxy-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.21146 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21874 204.6
[M+Na]+ 448.20068 215.1
[M+NH4]+ 443.24528 209.5
[M+K]+ 464.17462 210.7
[M-H]- 424.20418 207.2
[M+Na-2H]- 446.18613 208.8
[M]+ 425.21091 206.4
[M]- 425.21201 206.4
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

No patent data available for this compound.