CID 213624

Brn 0498799

Structural Information

Molecular Formula
C23H27N3O2
SMILES
COC1=CC=CC=C1C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H27N3O2/c1-28-22-9-5-3-7-20(22)23(27)25-18-11-14-26(15-12-18)13-10-17-16-24-21-8-4-2-6-19(17)21/h2-9,16,18,24H,10-15H2,1H3,(H,25,27)
InChIKey
HAJHYYKYINLAAJ-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.21033 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 193.6
[M+Na]+ 400.19955 206.2
[M+NH4]+ 395.24415 200.6
[M+K]+ 416.17349 199.8
[M-H]- 376.20305 198.9
[M+Na-2H]- 398.18500 200.8
[M]+ 377.20978 196.7
[M]- 377.21088 196.7
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

patents stripe