CID 6438283

1703-34-0

Structural Information

Molecular Formula

C₁₆H₂₁NO₅

SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCOCC2

InChI

InChI=1S/C16H21NO5/c1-19-13-10-12(11-14(20-2)16(13)21-3)4-5-15(18)17-6-8-22-9-7-17/h4-5,10-11H,6-9H2,1-3H3/b5-4+

InChIKey

FACQYSYWUYJQCQ-SNAWJCMRSA-N

Compound name

(E)-1-morpholin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 307.14197 Da
Monoisotopic Mass: 1.3
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]+	308.149246	171.0
[M+Na]+	330.131188	176.6
[M-H]-	306.134694	176.3
[M+NH4]+	325.175793	183.0
[M+K]+	346.105128	175.9
[M+H-H2O]+	290.139230	162.2
[M+HCOO]-	352.140171	188.6
[M+CH3COO]-	366.155821	203.7
[M+Na-2H]-	328.116636	172.8
[M]+	307.14142142	173.8
[M]-	307.14251858	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe