CID 213620

Benzamide, p-chloro-n-(1-(2-indol-3-ylethyl)-4-piperidyl)-

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

6
Patents

381.1608 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.168076 191.3
[M+Na]+ 404.150018 197.0
[M-H]- 380.153524 196.9
[M+NH4]+ 399.194623 202.4
[M+K]+ 420.123958 188.3
[M+H-H2O]+ 364.158060 181.0
[M+HCOO]- 426.159001 203.4
[M+CH3COO]- 440.174651 199.3
[M+Na-2H]- 402.135466 191.9
[M]+ 381.16025142 189.2
[M]- 381.16134858 189.2
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