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 202.1
[M+Na]+ 448.20068 206.7
[M-H]- 424.20418 206.0
[M+NH4]+ 443.24528 210.0
[M+K]+ 464.17462 200.1
[M+H-H2O]+ 408.20872 191.1
[M+HCOO]- 470.20966 214.9
[M+CH3COO]- 484.22531 227.0
[M+Na-2H]- 446.18613 199.2
[M]+ 425.21091 198.7
[M]- 425.21201 198.7
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

No patent data available for this compound.