CID 213617

Brn 0500432

Structural Information

Molecular Formula
C22H22ClN3O
SMILES
C1CN(CC=C1NC(=O)C2=CC=C(C=C2)Cl)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H22ClN3O/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/h1-8,10,15,24H,9,11-14H2,(H,25,27)
InChIKey
LCQNAMIZXXPNRL-UHFFFAOYSA-N
Compound name
4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

379.14514 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15242 190.3
[M+Na]+ 402.13436 197.0
[M-H]- 378.13786 196.3
[M+NH4]+ 397.17896 201.5
[M+K]+ 418.10830 188.1
[M+H-H2O]+ 362.14240 180.0
[M+HCOO]- 424.14334 203.9
[M+CH3COO]- 438.15899 198.8
[M+Na-2H]- 400.11981 191.9
[M]+ 379.14459 189.6
[M]- 379.14569 189.6
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