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]+ 319.180496 176.5
[M+Na]+ 341.162438 181.7
[M-H]- 317.165944 182.2
[M+NH4]+ 336.207043 189.2
[M+K]+ 357.136378 174.6
[M+H-H2O]+ 301.170480 166.1
[M+HCOO]- 363.171421 192.5
[M+CH3COO]- 377.187071 185.5
[M+Na-2H]- 339.147886 178.0
[M]+ 318.17267142 171.9
[M]- 318.17376858 171.9
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.