CID 172304

Mofloverine

Structural Information

Molecular Formula

C₁₆H₂₃NO₆

SMILES

COC1=CC(=C(C(=C1)OC)C(=O)OCCN2CCOCC2)OC

InChI

InChI=1S/C16H23NO6/c1-19-12-10-13(20-2)15(14(11-12)21-3)16(18)23-9-6-17-4-7-22-8-5-17/h10-11H,4-9H2,1-3H3

InChIKey

WXVNRHANVFMGDW-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 2,4,6-trimethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 325.15253 Da
Monoisotopic Mass: 1.4
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]+	326.159806	174.4
[M+Na]+	348.141748	179.4
[M-H]-	324.145254	179.7
[M+NH4]+	343.186353	185.6
[M+K]+	364.115688	180.0
[M+H-H2O]+	308.149790	165.3
[M+HCOO]-	370.150731	192.0
[M+CH3COO]-	384.166381	207.2
[M+Na-2H]-	346.127196	176.3
[M]+	325.15198142	179.5
[M]-	325.15307858	179.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe