CID 213620

Brn 0498339

Structural Information

Molecular Formula
C22H24ClN3O
SMILES
C1CN(CCC1NC(=O)C2=CC=C(C=C2)Cl)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H24ClN3O/c23-18-7-5-16(6-8-18)22(27)25-19-10-13-26(14-11-19)12-9-17-15-24-21-4-2-1-3-20(17)21/h1-8,15,19,24H,9-14H2,(H,25,27)
InChIKey
HJTGLKIPQNPCLL-UHFFFAOYSA-N
Compound name
4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

381.1608 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16808 192.4
[M+Na]+ 404.15002 206.7
[M+NH4]+ 399.19462 200.5
[M+K]+ 420.12396 198.8
[M-H]- 380.15352 198.2
[M+Na-2H]- 402.13547 200.3
[M]+ 381.16025 196.3
[M]- 381.16135 196.3
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