CID 213614

Brn 0496810

Structural Information

Molecular Formula
C22H23N3O
SMILES
C1CN(CC=C1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H23N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,11,16,23H,10,12-15H2,(H,24,26)
InChIKey
DPNACOMMNOXPKC-UHFFFAOYSA-N
Compound name
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

3
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 184.9
[M+Na]+ 368.17332 198.9
[M+NH4]+ 363.21792 192.8
[M+K]+ 384.14726 191.6
[M-H]- 344.17682 190.9
[M+Na-2H]- 366.15877 194.0
[M]+ 345.18355 188.5
[M]- 345.18465 188.5
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

patents stripe