CID 273563

1-(1h-indol-3-yl)-2-piperidin-1-yl-ethane-1,2-dione

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1CCN(CC1)C(=O)C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H16N2O2/c18-14(15(19)17-8-4-1-5-9-17)12-10-16-13-7-3-2-6-11(12)13/h2-3,6-7,10,16H,1,4-5,8-9H2
InChIKey
RZQPAQOFGPUUOC-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

256.1212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.3
[M+Na]+ 279.11042 164.1
[M-H]- 255.11392 161.3
[M+NH4]+ 274.15502 173.9
[M+K]+ 295.08436 159.5
[M+H-H2O]+ 239.11846 149.8
[M+HCOO]- 301.11940 174.7
[M+CH3COO]- 315.13505 168.6
[M+Na-2H]- 277.09587 160.6
[M]+ 256.12065 154.1
[M]- 256.12175 154.1
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.