CID 28985

Of-2499

Structural Information

Molecular Formula

C₂₅H₃₂N₂O₃

SMILES

CCN(CC)CCOC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C3=CC=CC=C3C

InChI

InChI=1S/C25H32N2O3/c1-6-26(7-2)15-16-30-20-13-14-23-21(17-20)24(25(28)29-8-3)19(5)27(23)22-12-10-9-11-18(22)4/h9-14,17H,6-8,15-16H2,1-5H3

InChIKey

DNXZQDOPVVOCSH-UHFFFAOYSA-N

Compound name

ethyl 5-[2-(diethylamino)ethoxy]-2-methyl-1-(2-methylphenyl)indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 408.2413 Da
Monoisotopic Mass: 5.4
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]+	409.248576	204.2
[M+Na]+	431.230518	211.5
[M-H]-	407.234024	212.1
[M+NH4]+	426.275123	217.3
[M+K]+	447.204458	207.5
[M+H-H2O]+	391.238560	194.5
[M+HCOO]-	453.239501	226.6
[M+CH3COO]-	467.255151	234.1
[M+Na-2H]-	429.215966	202.8
[M]+	408.24075142	213.8
[M]-	408.24184858	213.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.