CID 245940

Actiphenol

Structural Information

Molecular Formula

C₁₅H₁₇NO₄

SMILES

CC1=CC(=C(C(=C1)C(=O)CC2CC(=O)NC(=O)C2)O)C

InChI

InChI=1S/C15H17NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h3-4,10,20H,5-7H2,1-2H3,(H,16,18,19)

InChIKey

YTLMIHBTPWTPEV-UHFFFAOYSA-N

Compound name

4-[2-(2-hydroxy-3,5-dimethylphenyl)-2-oxoethyl]piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 75
Patents: 275.11575 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]+	276.12303	161.6
[M+Na]+	298.10497	168.8
[M-H]-	274.10847	164.5
[M+NH4]+	293.14957	175.3
[M+K]+	314.07891	164.6
[M+H-H2O]+	258.11301	154.5
[M+HCOO]-	320.11395	177.4
[M+CH3COO]-	334.12960	196.8
[M+Na-2H]-	296.09042	160.8
[M]+	275.11520	158.7
[M]-	275.11630	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe