CID 215414

Brn 0450828

Structural Information

Molecular Formula
C23H25N3O
SMILES
CC1=CC=CC=C1C(=O)NC2=CCN(CC2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H25N3O/c1-17-6-2-3-7-20(17)23(27)25-19-11-14-26(15-12-19)13-10-18-16-24-22-9-5-4-8-21(18)22/h2-9,11,16,24H,10,12-15H2,1H3,(H,25,27)
InChIKey
HKOVHUYOCJZROG-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19977 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20705 187.4
[M+Na]+ 382.18899 192.8
[M-H]- 358.19249 193.6
[M+NH4]+ 377.23359 198.6
[M+K]+ 398.16293 185.2
[M+H-H2O]+ 342.19703 176.8
[M+HCOO]- 404.19797 205.3
[M+CH3COO]- 418.21362 196.0
[M+Na-2H]- 380.17444 189.1
[M]+ 359.19922 184.7
[M]- 359.20032 184.7
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.