CID 3054772

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

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1CCCN(C1)C(=O)C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H18N2O2/c1-11-5-4-8-18(10-11)16(20)15(19)13-9-17-14-7-3-2-6-12(13)14/h2-3,6-7,9,11,17H,4-5,8,10H2,1H3
InChIKey
HRBAXCRGVDBNNC-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 162.9
[M+Na]+ 293.12606 174.7
[M+NH4]+ 288.17066 170.1
[M+K]+ 309.10000 170.4
[M-H]- 269.12956 164.8
[M+Na-2H]- 291.11151 168.0
[M]+ 270.13629 164.8
[M]- 270.13739 164.8
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.