CID 3072994

145313-41-3

Structural Information

Molecular Formula

C₁₇H₂₄N₂O₄

SMILES

CC(C)NCC(COC1=CC=CC2=C1C(=CN2)CC(=O)OC)O

InChI

InChI=1S/C17H24N2O4/c1-11(2)18-9-13(20)10-23-15-6-4-5-14-17(15)12(8-19-14)7-16(21)22-3/h4-6,8,11,13,18-20H,7,9-10H2,1-3H3

InChIKey

XYYNADJYWANKQJ-UHFFFAOYSA-N

Compound name

methyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.1736 Da
Monoisotopic Mass: 1.6
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]+	321.180876	176.7
[M+Na]+	343.162818	181.8
[M-H]-	319.166324	177.1
[M+NH4]+	338.207423	190.8
[M+K]+	359.136758	178.9
[M+H-H2O]+	303.170860	169.3
[M+HCOO]-	365.171801	195.2
[M+CH3COO]-	379.187451	206.8
[M+Na-2H]-	341.148266	177.0
[M]+	320.17305142	180.2
[M]-	320.17414858	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.