CID 213634

Brn 0501634

Structural Information

Molecular Formula
C23H24F3N3O
SMILES
C1CN(CCC1NC(=O)C2=CC(=CC=C2)C(F)(F)F)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H24F3N3O/c24-23(25,26)18-5-3-4-16(14-18)22(30)28-19-9-12-29(13-10-19)11-8-17-15-27-21-7-2-1-6-20(17)21/h1-7,14-15,19,27H,8-13H2,(H,28,30)
InChIKey
OGJKJGNPFLEMLC-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

415.18713 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.19441 197.9
[M+Na]+ 438.17635 203.0
[M-H]- 414.17985 199.9
[M+NH4]+ 433.22095 206.7
[M+K]+ 454.15029 194.6
[M+H-H2O]+ 398.18439 185.0
[M+HCOO]- 460.18533 209.5
[M+CH3COO]- 474.20098 204.3
[M+Na-2H]- 436.16180 197.8
[M]+ 415.18658 190.2
[M]- 415.18768 190.2
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