CID 205594

Brn 0497234

Structural Information

Molecular Formula
C21H20N2O3
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H20N2O3/c24-19(17-14-22-18-9-5-4-8-16(17)18)20(25)23-12-10-21(26,11-13-23)15-6-2-1-3-7-15/h1-9,14,22,26H,10-13H2
InChIKey
VNKZRFPWCQNHAU-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 182.8
[M+Na]+ 371.136618 188.5
[M-H]- 347.140124 188.0
[M+NH4]+ 366.181223 195.5
[M+K]+ 387.110558 182.3
[M+H-H2O]+ 331.144660 173.2
[M+HCOO]- 393.145601 197.0
[M+CH3COO]- 407.161251 191.4
[M+Na-2H]- 369.122066 184.3
[M]+ 348.14685142 178.4
[M]- 348.14794858 178.4
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