CID 100408

Brn 0433222

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1CCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O/c24-19(15-23-13-7-2-8-14-23)20-17-11-5-6-12-18(17)22-21(20)16-9-3-1-4-10-16/h1,3-6,9-12,22H,2,7-8,13-15H2
InChIKey
BOFKMACGBWPICU-UHFFFAOYSA-N
Compound name
1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 177.9
[M+Na]+ 341.16244 192.4
[M+NH4]+ 336.20704 186.4
[M+K]+ 357.13638 185.2
[M-H]- 317.16594 183.4
[M+Na-2H]- 339.14789 186.6
[M]+ 318.17267 181.6
[M]- 318.17377 181.6
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.