CID 209781

Brn 1580958

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

COC1=CC=C(C=C1)C(=O)CCC(=O)NCCCO

InChI

InChI=1S/C14H19NO4/c1-19-12-5-3-11(4-6-12)13(17)7-8-14(18)15-9-2-10-16/h3-6,16H,2,7-10H2,1H3,(H,15,18)

InChIKey

GXRYJEBDOONFCV-UHFFFAOYSA-N

Compound name

N-(3-hydroxypropyl)-4-(4-methoxyphenyl)-4-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 265.1314 Da
Monoisotopic Mass: 0.8
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]+	266.13868	161.6
[M+Na]+	288.12062	166.3
[M-H]-	264.12412	163.3
[M+NH4]+	283.16522	177.0
[M+K]+	304.09456	164.3
[M+H-H2O]+	248.12866	154.5
[M+HCOO]-	310.12960	183.3
[M+CH3COO]-	324.14525	197.4
[M+Na-2H]-	286.10607	163.8
[M]+	265.13085	164.1
[M]-	265.13195	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe