CID 3062667

N-(1-benzyl-4-piperidyl)-5-fluoro-2-methylindole-3-carboxamide

Structural Information

Molecular Formula
C22H24FN3O
SMILES
CC1=C(C2=C(N1)C=CC(=C2)F)C(=O)NC3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C22H24FN3O/c1-15-21(19-13-17(23)7-8-20(19)24-15)22(27)25-18-9-11-26(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18,24H,9-12,14H2,1H3,(H,25,27)
InChIKey
UWFAELOKLGEPCQ-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-5-fluoro-2-methyl-1H-indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.19034 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19762 187.7
[M+Na]+ 388.17956 193.6
[M-H]- 364.18306 192.7
[M+NH4]+ 383.22416 198.8
[M+K]+ 404.15350 185.8
[M+H-H2O]+ 348.18760 176.5
[M+HCOO]- 410.18854 203.4
[M+CH3COO]- 424.20419 195.9
[M+Na-2H]- 386.16501 187.6
[M]+ 365.18979 182.7
[M]- 365.19089 182.7
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

patents stripe