CID 116525

64059-58-1

Structural Information

Molecular Formula

C₁₄H₁₉NO₅

SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCOCC2)OC)OC

InChI

InChI=1S/C14H19NO5/c1-17-11-5-4-10(12(18-2)13(11)19-3)14(16)15-6-8-20-9-7-15/h4-5H,6-9H2,1-3H3

InChIKey

FIZQWEUHBSXRFR-UHFFFAOYSA-N

Compound name

morpholin-4-yl-(2,3,4-trimethoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.1263 Da
Monoisotopic Mass: 0.9
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]+	282.13358	163.1
[M+Na]+	304.11552	174.9
[M+NH4]+	299.16012	169.4
[M+K]+	320.08946	170.4
[M-H]-	280.11902	166.3
[M+Na-2H]-	302.10097	167.8
[M]+	281.12575	165.5
[M]-	281.12685	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe