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

literature stripe

Patent stripe

patents stripe