CID 43267

60439-46-5

Structural Information

Molecular Formula

C₁₇H₂₅NO₆

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCOCC2

InChI

InChI=1S/C17H25NO6/c1-20-14-11-13(12-15(21-2)16(14)22-3)17(19)24-8-4-5-18-6-9-23-10-7-18/h11-12H,4-10H2,1-3H3

InChIKey

VXOBLNCPAAJICO-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylpropyl 3,4,5-trimethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 339.16818 Da
Monoisotopic Mass: 1.7
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]+	340.175456	179.0
[M+Na]+	362.157398	183.5
[M-H]-	338.160904	184.0
[M+NH4]+	357.202003	189.6
[M+K]+	378.131338	184.0
[M+H-H2O]+	322.165440	169.7
[M+HCOO]-	384.166381	196.2
[M+CH3COO]-	398.182031	210.2
[M+Na-2H]-	360.142846	180.4
[M]+	339.16763142	184.4
[M]-	339.16872858	184.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.