CID 3054772

71765-49-6

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]+ 271.144116 162.9
[M+Na]+ 293.126058 169.2
[M-H]- 269.129564 166.2
[M+NH4]+ 288.170663 178.3
[M+K]+ 309.099998 164.4
[M+H-H2O]+ 253.134100 154.6
[M+HCOO]- 315.135041 178.9
[M+CH3COO]- 329.150691 173.2
[M+Na-2H]- 291.111506 164.0
[M]+ 270.13629142 159.5
[M]- 270.13738858 159.5
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.