CID 393478

Indole ester derivative, 23

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂

SMILES

CCN(CC)CCOC(=O)C1=CC2=CC=CC=C2N1

InChI

InChI=1S/C15H20N2O2/c1-3-17(4-2)9-10-19-15(18)14-11-12-7-5-6-8-13(12)16-14/h5-8,11,16H,3-4,9-10H2,1-2H3

InChIKey

ZHGUFSNYQNIDMW-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.15247 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.159746	161.5
[M+Na]+	283.141688	168.3
[M-H]-	259.145194	164.7
[M+NH4]+	278.186293	179.6
[M+K]+	299.115628	165.5
[M+H-H2O]+	243.149730	154.0
[M+HCOO]-	305.150671	184.5
[M+CH3COO]-	319.166321	199.3
[M+Na-2H]-	281.127136	165.5
[M]+	260.15192142	165.5
[M]-	260.15301858	165.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.