CID 91819

1-benzoyl-4-(1h-indol-3-yl)piperidine

Structural Information

Molecular Formula
C20H20N2O
SMILES
C1CN(CCC1C2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2O/c23-20(16-6-2-1-3-7-16)22-12-10-15(11-13-22)18-14-21-19-9-5-4-8-17(18)19/h1-9,14-15,21H,10-13H2
InChIKey
YTURLADWFKSLFZ-UHFFFAOYSA-N
Compound name
[4-(1H-indol-3-yl)piperidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

304.15756 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.164836 172.3
[M+Na]+ 327.146778 178.1
[M-H]- 303.150284 178.3
[M+NH4]+ 322.191383 185.7
[M+K]+ 343.120718 171.2
[M+H-H2O]+ 287.154820 162.2
[M+HCOO]- 349.155761 188.8
[M+CH3COO]- 363.171411 181.8
[M+Na-2H]- 325.132226 174.4
[M]+ 304.15701142 167.3
[M]- 304.15810858 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe