CID 213615

Brn 0495468

Structural Information

Molecular Formula
C22H23N3O
SMILES
C1CN(CC(=C1)NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H23N3O/c26-22(17-7-2-1-3-8-17)24-19-9-6-13-25(16-19)14-12-18-15-23-21-11-5-4-10-20(18)21/h1-5,7-11,15,23H,6,12-14,16H2,(H,24,26)
InChIKey
LPCIOXVVMFBULX-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1841 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19138 182.0
[M+Na]+ 368.17332 187.0
[M-H]- 344.17682 188.0
[M+NH4]+ 363.21792 193.4
[M+K]+ 384.14726 179.5
[M+H-H2O]+ 328.18136 171.3
[M+HCOO]- 390.18230 200.2
[M+CH3COO]- 404.19795 190.7
[M+Na-2H]- 366.15877 185.0
[M]+ 345.18355 178.5
[M]- 345.18465 178.5
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

No patent data available for this compound.