CID 213574

Fc 56

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

COC1=CC(=CC(=C1OC)C(=O)NCCO)CC=C

InChI

InChI=1S/C14H19NO4/c1-4-5-10-8-11(14(17)15-6-7-16)13(19-3)12(9-10)18-2/h4,8-9,16H,1,5-7H2,2-3H3,(H,15,17)

InChIKey

IWPQUPCBUBNYNT-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-2,3-dimethoxy-5-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 265.1314 Da
Monoisotopic Mass: 1.5
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]+	266.138676	160.3
[M+Na]+	288.120618	167.2
[M-H]-	264.124124	162.7
[M+NH4]+	283.165223	176.4
[M+K]+	304.094558	164.7
[M+H-H2O]+	248.128660	153.7
[M+HCOO]-	310.129601	183.0
[M+CH3COO]-	324.145251	199.1
[M+Na-2H]-	286.106066	162.4
[M]+	265.13085142	164.2
[M]-	265.13194858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe