CID 3054773

71765-50-9

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CC(CN(C1)C(=O)C(=O)C2=CNC3=CC=CC=C32)O
InChI
InChI=1S/C15H16N2O3/c18-10-4-3-7-17(9-10)15(20)14(19)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,16,18H,3-4,7,9H2
InChIKey
HRQXLXFKMWLFGA-UHFFFAOYSA-N
Compound name
1-(3-hydroxypiperidin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 161.4
[M+Na]+ 295.105318 167.5
[M-H]- 271.108824 163.5
[M+NH4]+ 290.149923 175.8
[M+K]+ 311.079258 162.8
[M+H-H2O]+ 255.113360 153.4
[M+HCOO]- 317.114301 176.4
[M+CH3COO]- 331.129951 171.3
[M+Na-2H]- 293.090766 162.7
[M]+ 272.11555142 157.2
[M]- 272.11664858 157.2
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