CID 58558

101586-49-6

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCN(CC)C(=O)C(=O)C1=C(N(C2=CC=CC=C21)C)C
InChI
InChI=1S/C16H20N2O2/c1-5-18(6-2)16(20)15(19)14-11(3)17(4)13-10-8-7-9-12(13)14/h7-10H,5-6H2,1-4H3
InChIKey
MAQFPPUOIJSKQL-UHFFFAOYSA-N
Compound name
2-(1,2-dimethylindol-3-yl)-N,N-diethyl-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.1
[M+Na]+ 295.14169 172.8
[M-H]- 271.14519 169.4
[M+NH4]+ 290.18629 182.9
[M+K]+ 311.11563 170.5
[M+H-H2O]+ 255.14973 157.0
[M+HCOO]- 317.15067 187.4
[M+CH3COO]- 331.16632 207.3
[M+Na-2H]- 293.12714 165.5
[M]+ 272.15192 169.9
[M]- 272.15302 169.9
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

patents stripe