CID 3040489

Icig 864

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1CN(CC(C1=O)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C21H22N2O/c24-21-10-11-23(14-16-6-2-1-3-7-16)15-18(21)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,22H,10-12,14-15H2
InChIKey
YDRMUTOHCRZGCL-UHFFFAOYSA-N
Compound name
1-benzyl-3-(1H-indol-3-ylmethyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 176.9
[M+Na]+ 341.16244 183.5
[M-H]- 317.16594 183.0
[M+NH4]+ 336.20704 190.1
[M+K]+ 357.13638 175.8
[M+H-H2O]+ 301.17048 166.6
[M+HCOO]- 363.17142 194.0
[M+CH3COO]- 377.18707 186.5
[M+Na-2H]- 339.14789 178.9
[M]+ 318.17267 173.3
[M]- 318.17377 173.3
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