CID 3054775

71765-52-1

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CC1CCCN(C1)C(=O)C(=O)C2=C(NC3=CC=CC=C32)C
InChI
InChI=1S/C17H20N2O2/c1-11-6-5-9-19(10-11)17(21)16(20)15-12(2)18-14-8-4-3-7-13(14)15/h3-4,7-8,11,18H,5-6,9-10H2,1-2H3
InChIKey
KYYLIHXBZFIPIZ-UHFFFAOYSA-N
Compound name
1-(2-methyl-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

284.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 167.5
[M+Na]+ 307.14169 174.2
[M-H]- 283.14519 170.9
[M+NH4]+ 302.18629 182.6
[M+K]+ 323.11563 169.2
[M+H-H2O]+ 267.14973 159.3
[M+HCOO]- 329.15067 183.1
[M+CH3COO]- 343.16632 199.2
[M+Na-2H]- 305.12714 167.3
[M]+ 284.15192 164.8
[M]- 284.15302 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.