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

1
Patents

348.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 182.8
[M+Na]+ 371.13662 188.5
[M-H]- 347.14012 188.0
[M+NH4]+ 366.18122 195.5
[M+K]+ 387.11056 182.3
[M+H-H2O]+ 331.14466 173.2
[M+HCOO]- 393.14560 197.0
[M+CH3COO]- 407.16125 191.4
[M+Na-2H]- 369.12207 184.3
[M]+ 348.14685 178.4
[M]- 348.14795 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